Segovia-Perez, Raul et al. published their research in Polyhedron in 2022 | CAS: 2216-51-5

(1R,2S,5R)-2-Isopropyl-5-methylcyclohexanol (cas: 2216-51-5) belongs to alcohols. A strong base can deprotonate an alcohol to yield an alkoxide ion (R―O−). For example, sodamide (NaNH2), a very strong base, abstracts the hydrogen atom of an alcohol. Under carefully controlled conditions, simple alcohols can undergo intermolecular dehydration to give ethers. This reaction is effective only with methanol, ethanol, and other simple primary alcohols.COA of Formula: C10H20O

Synthesis, characterization, and analysis of intermolecular interactions of isostructural diorganotin compounds containing enantiomeric 1,1-dithioligands was written by Segovia-Perez, Raul;Alvarado-Rodriguez, Jose G.;Andrade-Lopez, Noemi;Jancik, Vojtech;Cruz-Borbolla, Julian;Cortes-Llamas, Sara A.. And the article was included in Polyhedron in 2022.COA of Formula: C10H20O This article mentions the following:

The reaction of enantiomerically pure (+) and (-) menthol as well as (R)-(+)- and (S)-(-)N-benzyl-1-phenylethylamine with carbon disulfide in presence of potassium hydroxide yielded, resp., chiral xanthate and dithiocarbamates as their potassium salts. These chiral 1,1-dithioligands were reacted with diphenyltin dihalides to produce four enantiomeric and isostructural pairs of diorganotin complexes of formula (+)-[SnPh2{xanMEN}Cl] (1), (-)-[SnPh2{xanMEN}Cl] (1m), (+)-[SnPh2{xanMEN}Br] (2), (-)-[SnPh2{xanMEN}Br] (2m), (+)-[SnPh2{dtcBPE}Cl] (3), (-)-[SnPh2{dtcBPE}Cl] (3m), (+)-[SnPh2{dtcBPE}Br] (4), and (-)-[SnPh2{dtcBPE}Br] (4m). The 119Sn{1H} NMR data and the X-ray single-crystal diffraction studies of the eight heteroleptic compounds confirmed the anisobidentate pattern of the {RnECS2} (E = O, n = 1; E = N, n = 2) monoanionic ligand. The presence of halides and sulfur atoms enhanced the formation of C-H···X, S···H, S···S, and pi···H non-covalent interactions in the crystalline state. A Hirshfeld surface anal. was carried out to identify these significant intermol. contacts in the complexes. The less hindered tin atom in the xanthate complexes displayed a C:S···X-Sn interaction of attractive nature. In the experiment, the researchers used many compounds, for example, (1R,2S,5R)-2-Isopropyl-5-methylcyclohexanol (cas: 2216-51-5COA of Formula: C10H20O).

(1R,2S,5R)-2-Isopropyl-5-methylcyclohexanol (cas: 2216-51-5) belongs to alcohols. A strong base can deprotonate an alcohol to yield an alkoxide ion (R―O−). For example, sodamide (NaNH2), a very strong base, abstracts the hydrogen atom of an alcohol. Under carefully controlled conditions, simple alcohols can undergo intermolecular dehydration to give ethers. This reaction is effective only with methanol, ethanol, and other simple primary alcohols.COA of Formula: C10H20O

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Jamison Courtney, N. et al. published their research in NeuroToxicology in 2022 | CAS: 111-46-6

2,2′-Oxybis(ethan-1-ol) (cas: 111-46-6) belongs to alcohols. Because alcohols are easily synthesized and easily transformed into other compounds, they serve as important intermediates in organic synthesis. Tertiary alcohols cannot be oxidized at all without breaking carbon-carbon bonds, whereas primary alcohols can be oxidized to aldehydes or further oxidized to carboxylic acids.Recommanded Product: 2,2′-Oxybis(ethan-1-ol)

Histopathological evidence that diethylene glycol produces kidney and nervous system damage in rats was written by Jamison Courtney, N.;Cuevas-Ocampo Areli, K.;Flowers Ashley, B.;Nam Hyung, W.;Dayton Robert, D.;McKinney Mary, P.;Mitchell Hannah, G.;Fitzgerald Joseph, S.;Steib Mattie, E.;Toups Colton, R.;McMartin Kenneth, E.. And the article was included in NeuroToxicology in 2022.Recommanded Product: 2,2′-Oxybis(ethan-1-ol) This article mentions the following:

Diethylene glycol (DEG) is an organic compound that has been found as an adulterant in consumer products as a counterfeit glycerin. Diethylene glycol is metabolized to two primary metabolites: 2-hydroxyethoxyacetic acid (2-HEAA) and diglycolic acid (DGA), the latter shown to accumulate in the kidney and cause dose-dependent cell necrosis. DEG poisonings are characterized predominately by acute kidney injury (AKI) but have also produced delayed neurol. sequelae such as sensorimotor neuropathy. To better understand these effects, Wistar-Han rats were orally administered a water control or doses of 4 g/kg-6 g/kg DEG every 12 or 24 h for 7 days, with kidney, brain, and spinal cord tissue collected for histopathol. anal. This dosing paradigm resulted in approx. 25% of the DEG-treated animals developing AKI and also neurotoxicity (sensorimotor dysfunction and elevated cerebrospinal fluid (CSF) protein). Kidney pathol. included a severe, diffuse acute kidney tubular necrosis predominantly affecting proximal convoluted tubules. Scattered birefringent crystals consistent with calcium oxalate monohydrate were also found in the proximal tubule of animals with AKI. Demyelination in the dorsal and lateral white matter regions of the cervical, thoracic, and lumbar areas of the spinal cord of a DEG-treated animal with AKI was documented, establishing the neuropathol. in DEG-treated animals that developed neurotoxicity. There were significant changes in amino acid concentrations in the CSF that may reflect the neurotoxicity of DEG, specifically glutamate and glutamine, but with no ammonia change. These studies characterized the pathol. aspects of the neurotoxicity in a DEG repeat-dose model. In the experiment, the researchers used many compounds, for example, 2,2′-Oxybis(ethan-1-ol) (cas: 111-46-6Recommanded Product: 2,2′-Oxybis(ethan-1-ol)).

2,2′-Oxybis(ethan-1-ol) (cas: 111-46-6) belongs to alcohols. Because alcohols are easily synthesized and easily transformed into other compounds, they serve as important intermediates in organic synthesis. Tertiary alcohols cannot be oxidized at all without breaking carbon-carbon bonds, whereas primary alcohols can be oxidized to aldehydes or further oxidized to carboxylic acids.Recommanded Product: 2,2′-Oxybis(ethan-1-ol)

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Xu, Xiao et al. published their research in RSC Advances in 2013 | CAS: 120121-01-9

(R)-1-(3-Chlorophenyl)ethanol (cas: 120121-01-9) belongs to alcohols. Alcohols are weak acids. The most acidic simple alcohols (methanol and ethanol) are about as acidic as water, and most other alcohols are somewhat less acidic. Grignard and organolithium reagents are powerful tools for organic synthesis, and the most common products of their reactions are alcohols.Name: (R)-1-(3-Chlorophenyl)ethanol

Phosphonate-containing polystyrene copolymer-supported Ru catalyst for asymmetric transfer hydrogenation in water was written by Xu, Xiao;Wang, Rui;Wan, Jingwei;Ma, Xuebing;Peng, Jingdong. And the article was included in RSC Advances in 2013.Name: (R)-1-(3-Chlorophenyl)ethanol This article mentions the following:

A series of phosphonate-containing polystyrene polymers with chiral ligand (1R,2R)-(+)-N1-toluenesulfonyl-1,2-diphenylethane-1,2-diamine were prepared by a radical copolymerization The supported ruthenium (Ru) catalysts displayed excellent catalytic performance (94-98% yield, 93.9-97.8% ee and 100% chemoselectivity) in an aqueous asym. transfer hydrogenation and the catalysts could be easily recycled by centrifugal separation The synthesis of the target compounds (catalysts) was achieved by a reaction of P-(1-phenylethenyl)phosphonic acid with monomers derived from (1R,2R)-1,2-diphenyl-1,2-ethanediamine and benzenesulfonamide and glycine or β-alanine. The title compounds thus formed included a β-alaninamide polymer (I). In the experiment, the researchers used many compounds, for example, (R)-1-(3-Chlorophenyl)ethanol (cas: 120121-01-9Name: (R)-1-(3-Chlorophenyl)ethanol).

(R)-1-(3-Chlorophenyl)ethanol (cas: 120121-01-9) belongs to alcohols. Alcohols are weak acids. The most acidic simple alcohols (methanol and ethanol) are about as acidic as water, and most other alcohols are somewhat less acidic. Grignard and organolithium reagents are powerful tools for organic synthesis, and the most common products of their reactions are alcohols.Name: (R)-1-(3-Chlorophenyl)ethanol

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Du, Ting et al. published their research in Journal of Nanobiotechnology in 2022 | CAS: 111-46-6

2,2′-Oxybis(ethan-1-ol) (cas: 111-46-6) belongs to alcohols. Alcohols are among the most common organic compounds. They are used as sweeteners and in making perfumes, are valuable intermediates in the synthesis of other compounds, and are among the most abundantly produced organic chemicals in industry. Secondary alcohols are easily oxidized without breaking carbon-carbon bonds only as far as the ketone stage. No further oxidation is seen except under very stringent conditions.Formula: C4H10O3

Van-mediated self-aggregating photothermal agents combined with multifunctional magnetic nickel oxide nanoparticles for precise elimination of bacterial infections was written by Du, Ting;Cao, Jiangli;Xiao, Zehui;Liu, Jiaqi;Wei, Lifei;Li, Chunqiao;Jiao, Jingbo;Song, Zhiyong;Liu, Jifeng;Du, Xinjun;Wang, Shuo. And the article was included in Journal of Nanobiotechnology in 2022.Formula: C4H10O3 This article mentions the following:

Building a novel and efficient photothermal antibacterial nanoplatform is a promising strategy for precise bacterial elimination. Herein, a nanocomposite NiO NPs@AuNPs@Van (NAV) for selective MRSA removal was constructed by electrostatic self-assembly of highly photothermal magnetic NiO NPs and vancomycin (Van)-modified gold nanoparticles (AuNPs). In the presence of MRSA and under NIR irradiation, Van-mediated AuNPs can self-aggregate on MRSA surface, generating photothermal effect in situ and killing 99.6% MRSA in conjunction with magnetic NiO NPs. Addnl., the photothermal efficiency can be improved by magnetic enrichment due to the excellent magnetism of NAV, thereby enhancing the bactericidal effect at a lower exptl. dose. In vitro antibacterial experiments and full-thickness skin wound healing test demonstrated that this combination therapy could effectively accelerate wound healing in MRSA-infected mice, increase collagen coverage, reduce IL-6 and TNF-α content, and upregulate VEGF expression. Biol. safety experiments confirmed that NAV has good biocompatibility in vivo and in vitro. Overall, this work reveals a new type of nanocomposite with enhanced photothermal antibacterial activity as a potential nano-antibacterial agent for treating bacteria-infected wounds. In the experiment, the researchers used many compounds, for example, 2,2′-Oxybis(ethan-1-ol) (cas: 111-46-6Formula: C4H10O3).

2,2′-Oxybis(ethan-1-ol) (cas: 111-46-6) belongs to alcohols. Alcohols are among the most common organic compounds. They are used as sweeteners and in making perfumes, are valuable intermediates in the synthesis of other compounds, and are among the most abundantly produced organic chemicals in industry. Secondary alcohols are easily oxidized without breaking carbon-carbon bonds only as far as the ketone stage. No further oxidation is seen except under very stringent conditions.Formula: C4H10O3

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Lu, Ru-mei et al. published their research in Zhongcaoyao in 2014 | CAS: 10030-85-0

(2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal hydrate (cas: 10030-85-0) belongs to alcohols. Under appropriate conditions, inorganic acids also react with alcohols to form esters. To form these esters, a wide variety of specialized reagents and conditions can be used. Secondary alcohols are easily oxidized without breaking carbon-carbon bonds only as far as the ketone stage. No further oxidation is seen except under very stringent conditions.Computed Properties of C6H14O6

Chemical constituents of Gynostemma pentaphyllum was written by Lu, Ru-mei;Pan, Li-wei;Wei, Jian-hua;Zhong, Zhen-guo. And the article was included in Zhongcaoyao in 2014.Computed Properties of C6H14O6 This article mentions the following:

The chem. constituents of Gynostema pentaphyllum were studied. The chem. constituents were isolated and purified by silica gel, polyamide, and Sephadex LH-20 chromatog. Their structures were elucidated by physicochem. properties and spectral anal. Seventeen compounds were isolated and identified as dodecanoic acid (1), β-sitosterol (2), 3,3′,5-trihydroxy-4′,7-dimethoxyflavone (3), 1-2-benzenediol (4), 3′-O-methyltaxifolin (5), quercetin (6), rhamnetin (7), α-spinasterol-3-O-β-D-glucopyranoside (8), 3,4-dihydroxy benzoic acid (9), narcissoside (10), L-rhamnosemonohydrate (11), malonic acid (12), β-ethoxy-rutinoside (13), rutin (14), ombuoside (15), ginsenoside Rb1 (16), and β-daucosterol (17). Compound 1,3-5,7,9,10, and 12 are obtained from G. pentaphyllum for the first time. In the experiment, the researchers used many compounds, for example, (2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal hydrate (cas: 10030-85-0Computed Properties of C6H14O6).

(2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal hydrate (cas: 10030-85-0) belongs to alcohols. Under appropriate conditions, inorganic acids also react with alcohols to form esters. To form these esters, a wide variety of specialized reagents and conditions can be used. Secondary alcohols are easily oxidized without breaking carbon-carbon bonds only as far as the ketone stage. No further oxidation is seen except under very stringent conditions.Computed Properties of C6H14O6

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Wang, Peng et al. published their research in European Journal of Organic Chemistry in 2022 | CAS: 873-76-7

(4-Chlorophenyl)methanol (cas: 873-76-7) belongs to alcohols. A strong base can deprotonate an alcohol to yield an alkoxide ion (R―O−). For example, sodamide (NaNH2), a very strong base, abstracts the hydrogen atom of an alcohol. A multistep synthesis may use Grignard-like reactions to form an alcohol with the desired carbon structure, followed by reactions to convert the hydroxyl group of the alcohol to the desired functionality.Name: (4-Chlorophenyl)methanol

Palladium-Catalyzed Carbonylation of Allylic Chlorides to β,γ-Unsaturated Esters/Amides under Mild Conditions was written by Wang, Peng;Cao, Zhusong.;Wang, Yaxin X.;Neumann, Helfried;Beller, Matthias. And the article was included in European Journal of Organic Chemistry in 2022.Name: (4-Chlorophenyl)methanol This article mentions the following:

Improved procedures for carbonylative transformations (alkoxy- and aminocarbonylation) of cinnamyl chloride to synthesize β,γ-unsaturated esters/amides have been developed. Studying critical reaction parameters (palladium precursors, solvents and bases) enabled the practical preparation of diverse β,γ-unsaturated esters/amides under mild conditions (low Pd catalyst loading, phosphine-free, 2 bar CO, 60°C). The optimal catalytic system shows excellent chemo- and regioselectivity for the activation of the allylic C-Cl bonds. In the experiment, the researchers used many compounds, for example, (4-Chlorophenyl)methanol (cas: 873-76-7Name: (4-Chlorophenyl)methanol).

(4-Chlorophenyl)methanol (cas: 873-76-7) belongs to alcohols. A strong base can deprotonate an alcohol to yield an alkoxide ion (R―O−). For example, sodamide (NaNH2), a very strong base, abstracts the hydrogen atom of an alcohol. A multistep synthesis may use Grignard-like reactions to form an alcohol with the desired carbon structure, followed by reactions to convert the hydroxyl group of the alcohol to the desired functionality.Name: (4-Chlorophenyl)methanol

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Wang, Xin et al. published their research in Macromolecules (Washington, DC, United States) in 2022 | CAS: 2216-51-5

(1R,2S,5R)-2-Isopropyl-5-methylcyclohexanol (cas: 2216-51-5) belongs to alcohols. A strong base can deprotonate an alcohol to yield an alkoxide ion (R―O−). For example, sodamide (NaNH2), a very strong base, abstracts the hydrogen atom of an alcohol. A multistep synthesis may use Grignard-like reactions to form an alcohol with the desired carbon structure, followed by reactions to convert the hydroxyl group of the alcohol to the desired functionality.Computed Properties of C10H20O

Diazoacetates as Terminating Agents in Living Ring-Opening Metathesis Polymerization: Synthesis of Chain-End-Functionalized Polymers was written by Wang, Xin;Sun, Yichen;Yao, Xing-Qi;Xu, Yan;Wang, Jianbo. And the article was included in Macromolecules (Washington, DC, United States) in 2022.Computed Properties of C10H20O This article mentions the following:

We report herein a simple, efficient strategy to access diverse end-functionalized polymers from a living ring-opening metathesis polymerization process using diazoacetates as a new terminating agent. Such a terminating process occurs via a C=C bond-forming reaction between the chain-end ruthenium carbenes and the diazoacetates, resulting in the rapid construction of a unique, α,β-unsaturated carbonyl motif at more than 95% of the chain end within 5 min. A variety of easily accessible and diversely substituted diazoacetates could be used, allowing for the facile introduction of an addnl. panel of useful functionalities at the polymer chain end. Diverse postpolymn. modifications, including Michael addition, “click” reaction, and chain extension, have been further demonstrated. In the experiment, the researchers used many compounds, for example, (1R,2S,5R)-2-Isopropyl-5-methylcyclohexanol (cas: 2216-51-5Computed Properties of C10H20O).

(1R,2S,5R)-2-Isopropyl-5-methylcyclohexanol (cas: 2216-51-5) belongs to alcohols. A strong base can deprotonate an alcohol to yield an alkoxide ion (R―O−). For example, sodamide (NaNH2), a very strong base, abstracts the hydrogen atom of an alcohol. A multistep synthesis may use Grignard-like reactions to form an alcohol with the desired carbon structure, followed by reactions to convert the hydroxyl group of the alcohol to the desired functionality.Computed Properties of C10H20O

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Alaimo, David et al. published their research in Polymer Chemistry in 2017 | CAS: 60463-12-9

3-(Hydroxymethyl)-4-nitrophenol (cas: 60463-12-9) belongs to alcohols. Under appropriate conditions, inorganic acids also react with alcohols to form esters. To form these esters, a wide variety of specialized reagents and conditions can be used. A multistep synthesis may use Grignard-like reactions to form an alcohol with the desired carbon structure, followed by reactions to convert the hydroxyl group of the alcohol to the desired functionality.Quality Control of 3-(Hydroxymethyl)-4-nitrophenol

A photocleavable stabilizer for the preparation of PHEMA nanogels by dispersion polymerization in supercritical carbon dioxide was written by Alaimo, David;Grignard, Bruno;Kuppan, Chandrasekar;Adriaensen, Yasmine;Genet, Michel J.;Dupont-Gillain, Christine;Gohy, Jean-Francois;Fustin, Charles-Andre;Detrembleur, Christophe;Jerome, Christine. And the article was included in Polymer Chemistry in 2017.Quality Control of 3-(Hydroxymethyl)-4-nitrophenol This article mentions the following:

A new photo-sensitive diblock copolymer composed of a hydrophilic sequence of poly(ethylene oxide) (PEO) linked to a CO2-philic sequence of poly(1H,1H,2H,2H-heptadecafluorodecyl acrylate) (PFDA) by a light sensitive o-nitrobenzyl group was successfully synthesized by RAFT polymerization and used as a stabilizer for the free radical polymerization of 2-hydroxyethyl methacrylate (HEMA) dispersion in α,α,α-trifluorotoluene and supercritical carbon dioxide (scCO2). Thanks to this fluorinated stabilizer, well-defined particles of PHEMA down to 350 nm diameter were produced in scCO2. Advantageously, the photocleavable group at the block junction of the stabilizer could be cleaved by exposing the particles to UV light so that the fluorinated block could be extracted in TFT or scCO2. As supported by XPS anal., up to 80% of the fluorinated block of the stabilizer can be removed, leading to efficient swelling and dispersion of the resulting PHEMA nanogels in water. In the experiment, the researchers used many compounds, for example, 3-(Hydroxymethyl)-4-nitrophenol (cas: 60463-12-9Quality Control of 3-(Hydroxymethyl)-4-nitrophenol).

3-(Hydroxymethyl)-4-nitrophenol (cas: 60463-12-9) belongs to alcohols. Under appropriate conditions, inorganic acids also react with alcohols to form esters. To form these esters, a wide variety of specialized reagents and conditions can be used. A multistep synthesis may use Grignard-like reactions to form an alcohol with the desired carbon structure, followed by reactions to convert the hydroxyl group of the alcohol to the desired functionality.Quality Control of 3-(Hydroxymethyl)-4-nitrophenol

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Wu, Di et al. published their research in Applied Organometallic Chemistry in 2022 | CAS: 873-76-7

(4-Chlorophenyl)methanol (cas: 873-76-7) belongs to alcohols. Alcohols are weak acids. The most acidic simple alcohols (methanol and ethanol) are about as acidic as water, and most other alcohols are somewhat less acidic. A multistep synthesis may use Grignard-like reactions to form an alcohol with the desired carbon structure, followed by reactions to convert the hydroxyl group of the alcohol to the desired functionality.Recommanded Product: 873-76-7

Nickel-catalyzed α-alkylation of ketones with benzyl alcohols was written by Wu, Di;Wang, Yubin;Li, Min;Shi, Lei;Liu, Jichang;Liu, Ning. And the article was included in Applied Organometallic Chemistry in 2022.Recommanded Product: 873-76-7 This article mentions the following:

An efficient method for α-alkylation of ketones with benzyl alcs. using the pyridine-bridged pincer-type N-heterocyclic carbenes nickel complexes as catalysts is reported. A wide range of ketones and benzyl alcs. were efficiently converted into various alkylated products in moderate to high yields. In addition, these nickel complexes were also successfully applied for the synthesis of a wide range of quinoline derivatives In the experiment, the researchers used many compounds, for example, (4-Chlorophenyl)methanol (cas: 873-76-7Recommanded Product: 873-76-7).

(4-Chlorophenyl)methanol (cas: 873-76-7) belongs to alcohols. Alcohols are weak acids. The most acidic simple alcohols (methanol and ethanol) are about as acidic as water, and most other alcohols are somewhat less acidic. A multistep synthesis may use Grignard-like reactions to form an alcohol with the desired carbon structure, followed by reactions to convert the hydroxyl group of the alcohol to the desired functionality.Recommanded Product: 873-76-7

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Fornari, Fabio et al. published their research in Chemometrics and Intelligent Laboratory Systems in 2022 | CAS: 499-75-2

5-Isopropyl-2-methylphenol (cas: 499-75-2) belongs to alcohols. Because alcohols are easily synthesized and easily transformed into other compounds, they serve as important intermediates in organic synthesis. Tertiary alcohols cannot be oxidized at all without breaking carbon-carbon bonds, whereas primary alcohols can be oxidized to aldehydes or further oxidized to carboxylic acids.Name: 5-Isopropyl-2-methylphenol

Chemometric-assisted cocrystallization: supervised pattern recognition for predicting the formation of new functional cocrystals was written by Fornari, Fabio;Montisci, Fabio;Bianchi, Federica;Cocchi, Marina;Carraro, Claudia;Cavaliere, Francesca;Cozzini, Pietro;Peccati, Francesca;Mazzeo, Paolo P.;Riboni, Nicolo;Careri, Maria;Bacchi, Alessia. And the article was included in Chemometrics and Intelligent Laboratory Systems in 2022.Name: 5-Isopropyl-2-methylphenol This article mentions the following:

Owing to their antimicrobial and insecticide properties, the use of natural compounds like essential oils and their active components has proven to be an effective alternative to synthetic chems. in different fields ranging from drug delivery to agriculture and from nutrition to food preservation. Their limited application due to the high volatility and scarce water solubility can be expanded by using crystal engineering approaches to tune some properties of the active mol. by combining it with a suitable partner mol. (coformer). However, the selection of coformers and the exptl. effort required for discovering cocrystals are the bottleneck of cocrystal engineering. This study explores the use of chemometrics to aid the discovery of cocrystals of active ingredients suitable for various applications. Partial Least Squares-Discriminant Anal. is used to discern cocrystals from binary mixtures based on the mol. features of the coformers. For the first time a dataset comprising also failed cocrystn. experiments and a variety of chem. diverse compounds was utilized. The proposed methodol. resulted in a successful prediction rate of 85% for the test set in the model validation phase and of 74% for the external validation set. In the experiment, the researchers used many compounds, for example, 5-Isopropyl-2-methylphenol (cas: 499-75-2Name: 5-Isopropyl-2-methylphenol).

5-Isopropyl-2-methylphenol (cas: 499-75-2) belongs to alcohols. Because alcohols are easily synthesized and easily transformed into other compounds, they serve as important intermediates in organic synthesis. Tertiary alcohols cannot be oxidized at all without breaking carbon-carbon bonds, whereas primary alcohols can be oxidized to aldehydes or further oxidized to carboxylic acids.Name: 5-Isopropyl-2-methylphenol

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts