Month: November 2022

Transition-metal-free formal cross-coupling of aryl methyl sulfoxides and alcohols via nucleophilic activation of C-S bond was written by Li, Guolin;Nieves-Quinones, Yexenia;Zhang, Hui;Liang, Qingjin;Su, Shuaisong;Liu, Qingchao;Kozlowski, Marisa C.;Jia, Tiezheng. And the article was included in Nature Communications in 2020.Electric Literature of C10H22O The following contents are mentioned in the article:

A transition-metal-free cross-coupling strategy utilizing aryl(heteroaryl) Me sulfoxides R¹S(O)Me (R¹ = Ph, 4-NCC₆H₄, 2-naphthyl, 3-pyridyl, 2-benzimidazolyl, etc.) and alcs. R²OH (R² = Me, i-Pr, 2-cyclohexylethyl, 1-adamantylmethyl, etc.) to afford alkyl aryl(heteroaryl) ethers R¹OR² is reported. Two drug mols. were successfully prepared using this protocol as a key step and emphasized its potential utility in medicinal chem. A DFT computational study suggests that the reaction proceeds via initial addition of the alkoxide to the sulfoxide. This adduct facilitates further intramol. addition of the alkoxide to the aromatic ring wherein charge on the aromatic system is stabilized by the nearby potassium cation. Rate-determining fragmentation then delivers Me sulfenate and the aryl or heteroaryl ether. This study establishes the feasibility of nucleophilic addition to an appended sulfoxide as a means to form a bond to aryl(heteroaryl) systems and this modality is expected to find use with many other electrophiles and nucleophiles leading to new cross-coupling processes. This study involved multiple reactions and reactants, such as 3,7-Dimethyloctan-1-ol (cas: 106-21-8Electric Literature of C10H22O).

3,7-Dimethyloctan-1-ol (cas: 106-21-8) belongs to alcohols. Similar to water, an alcohol can be pictured as having an sp3 hybridized tetrahedral oxygen atom with nonbonding pairs of electrons occupying two of the four sp3 hybrid orbitals. 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.Electric Literature of C10H22O

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Organotin(IV) complexes with ONS donor Schiff base ligand: synthesis, characterization and antimicrobial evaluation was written by Batra, Nisha;Malhotra, Nidhi;Assija, Sonika. And the article was included in Journal of Chemical and Pharmaceutical Research in 2014.Related Products of 65-22-5 The following contents are mentioned in the article:

Organotin(IV) complexes [R₂SnL¹, R₂SnL²; R = Me, Et, Bu and Ph] have been synthesized by reaction of diorganodichlorotin(IV) with biol. potent Schiff base ligands 5-hydroxymethyl-4-[2-mercapto-phenylimino-methyl]-2-methyl-pyridin-3-ol H₂L¹, 4-[5-chloro-2-mercapto-phenylimino-methyl]-5-hydroxymethyl-2-methylpyridin-3-ol H₂L² derived from pyridoxal hydrochloride with 2-aminothiophenol and 2-amino-4-chlorothiophenol resp. The geometry of these compounds has been proposed on basis of elemental analyses, molar conductance and spectroscopic techniques IR, electronic, ¹H, ¹³C and ¹¹⁹Sn NMR. On the basis of these studies it revealed that Schiff base ligands acted as ONS donor system and coordinated to tin atom in tridentate fashion with trigonal pyramidal geometry around tin atom. To compare the biopotency of these complexes, Schiff base ligands and their complexes were also tested for in vitro antimicrobial evaluation against some pathogenic fungi and bacteria. Enrichment was observed in biol. activity of ligands on coordination with tin atom. This study involved multiple reactions and reactants, such as 3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde hydrochloride (cas: 65-22-5Related Products of 65-22-5).

3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde hydrochloride (cas: 65-22-5) belongs to alcohols. Alkyl halides are often synthesized from alcohols, in effect substituting a halogen atom for the hydroxyl group. 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.Related Products of 65-22-5

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

A Biochemical Approach for Hedysarum candidissimum from Turkey: Screening Phytochemicals, Evaluation of Biological Activites, and Molecular Docking Study was written by Altay, Ahmet;Yeniceri, Esma;Taslimi, Parham;Taskin-Tok, Tugba;Yilmaz, Mustafa Abdullah;Koksal, Ekrem. And the article was included in Chemistry & Biodiversity in 2022.Electric Literature of C20H22O8 The following contents are mentioned in the article:

This study was designed to screen the phytochem. composition and investigate the biol. activities of Hedysarum candidissimum extracts and also support the results with mol. docking studies. LC/MS/MS anal. revealed the presence of 22 phytochem. constituents (mainly phenolic acids, flavonoids, and flavonoid glycosides) in the plant structure. The methanol extract exhibited the strongest antioxidant activity among all the extracts with its strong DPPH radical scavenging and iron reducing capacity, as well as high phenolic and flavonoid contents. Addnl., it was found to be the most promising acetylcholinesterase (AChE: IC₅₀: 93.26 μg/mL) and α-glycosidase (AG: IC₅₀: 28.57 μg/mL) inhibitory activities, supported by the major phenolics of the species through in silico studies. Et acetate extract had the strongest cytotoxic effect on HT-29 (IC₅₀: 63.03 μg/mL) and MDA-MB-453 (IC₅₀: 95.36 μg/mL) cancer cell lines. Both extracts exhibited considerable apoptotic and anti-migrative effects on HT-29 cells. The investigations provide phyto-anal. and bio-pharmacol. results which can be extended by in vivo studies in the future. This study involved multiple reactions and reactants, such as (2S,3R,4S,5S,6R)-2-(3-Hydroxy-5-((E)-4-hydroxystyryl)phenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol (cas: 27208-80-6Electric Literature of C20H22O8).

(2S,3R,4S,5S,6R)-2-(3-Hydroxy-5-((E)-4-hydroxystyryl)phenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol (cas: 27208-80-6) belongs to alcohols. Similar to water, an alcohol can be pictured as having an sp3 hybridized tetrahedral oxygen atom with nonbonding pairs of electrons occupying two of the four sp3 hybrid orbitals. The most common reactions of alcohols can be classified as oxidation, dehydration, substitution, esterification, and reactions of alkoxides.Electric Literature of C20H22O8

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Peroxidase activity of new mixed-valence cobalt complexes with ligands derived from pyridoxal was written by Fontana, Liniquer Andre;Siqueira, Josieli Demetrio;Ceolin, Joice;Iglesias, Bernardo Almeida;Piquini, Paulo Cesar;Neves, Ademir;Back, Davi Fernando. And the article was included in Applied Organometallic Chemistry in 2019.Computed Properties of C8H10ClNO3 The following contents are mentioned in the article:

New mixed-valence cobalt complexes with ligands derived from pyridoxal were synthesized and characterized, and their application as mimetics of the peroxidase enzyme was investigated. Single-crystal x-ray diffraction was used to analyze all complex structures in the solid state and their electrochem. behavior was investigated. A reactivity pattern was observed in the complex synthesis regarding the cobalt compounds from which analogous zwitterionic derivatives were obtained. The importance of these compounds lies in understanding their behavior in an oxidizing environment and evaluating whether they can activate hydrogen peroxide to oxidize phenolic compounds In nature, enzymes called peroxidases, which efficiently oxidize phenolic compounds, trigger many reactions involving the activation of hydrogen peroxide to oxidize organic substrates. However, these enzymes present several disadvantages, including denaturation and elevated costs. Therefore, these limitations can be overcome by expanding research into the study of synthetic catalysts for the oxidation of phenolic compounds using hydrogen peroxide, which is a highly relevant field of bioinorganic chem. This study involved multiple reactions and reactants, such as 3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde hydrochloride (cas: 65-22-5Computed Properties of C8H10ClNO3).

3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde hydrochloride (cas: 65-22-5) 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. Converting an alcohol to an alkene requires removal of the hydroxyl group and a hydrogen atom on the neighbouring carbon atom. Dehydrations are most commonly carried out by warming the alcohol in the presence of a strong dehydrating acid, such as concentrated sulfuric acid.Computed Properties of C8H10ClNO3

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Nontargeted and targeted metabolomics analysis provides novel insight into nonvolatile metabolites in Jianghua Kucha tea germplasm (Camellia sinensis var. Assamica cv. Jianghua) was written by Wu, Wenliang;Lu, Meiling;Peng, Jiakun;Lv, Haipeng;Shi, Jiang;Zhang, Shuguang;Liu, Zhen;Duan, Jihua;Chen, Dan;Dai, Weidong;Lin, Zhi. And the article was included in Food Chemistry: X in 2022.COA of Formula: C30H26O12 The following contents are mentioned in the article:

Jianghua Kucha (JHKC) is a special tea germplasm with high bitterness growing in China; however, the chem. characteristics of JHKC are not completely understood. In this study, 61 differential metabolites were identified between 11 wild JHKC individuals and 3 control cultivars of Fudingdabai, Yunkang 10, and Zhuyeqi using comprehensive nontargeted and targeted metabolomics approach. The JHKC accessions mainly possessed significantly higher levels of purine alkaloids of theacrine (12.06 ± 5.23 mg/g) and 1,3,7-trimethyluric acid, non-epi-form flavanols (catechin, gallocatechin, catechin gallate, and gallocatechin gallate), and methylated flavanols of epigallocatechin-3-O-(3′′-O-methyl)-gallate (4.79 ± 1.45 mg/g) and epicatechin-3-O-(3′′-O-methyl)-gallate (1.02 ± 0.34 mg/g), as well as significantly lower levels of flavonol glycosides, which indicated that caffeine metabolism, flavonoid biosynthesis, and flavonol and flavone biosynthesis are mostly differential metabolic pathways. Our study demonstrated that JHKC germplasm is a promising resource for breeding novel tea cultivars with high contents of theacrine, non-epi-form flavanols, and methylated flavanols. This study involved multiple reactions and reactants, such as (2R,2’R,3R,3’R,4R)-2,2′-Bis(3,4-dihydroxyphenyl)-[4,8′-bichromane]-3,3′,5,5′,7,7′-hexaol (cas: 29106-49-8COA of Formula: C30H26O12).

(2R,2’R,3R,3’R,4R)-2,2′-Bis(3,4-dihydroxyphenyl)-[4,8′-bichromane]-3,3′,5,5′,7,7′-hexaol (cas: 29106-49-8) 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: C30H26O12

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

High resolution LC-MS/MS characterization of polyphenolic composition and evaluation of antioxidant activity of Sambucus ebulus fruit tea traditionally used in Bulgaria as a functional food was written by Kiselova-Kaneva, Yoana;Galunska, Bistra;Nikolova, Miglena;Dincheva, Ivayla;Badjakov, Ilian. And the article was included in Food Chemistry in 2022.HPLC of Formula: 27208-80-6 The following contents are mentioned in the article:

The purpose of this study was to perform phytochem. anal. of tea from Sambucus ebulus fruits concerning hydroxycinnamic acids, flavonol glucosides, stilbenes and proanthocyanidin mono-, di- and trimers content. In total, 33 compounds were identified and quantified using UPLC-DAD-ESI/MS/MS system and the results are presented in mg/g dry weight (DW). Among analyzed hydroxycinnamic acids, 5-Caffeoylquinic acid (114.17 mg/g) was most abundant, followed by 3-p-Coumaroylquinic acid (50.33 mg/g) and 3-p-Feruloylquinic acid, p-Coumaric acid glucoside and 4-p-Coumaroylquinic acid (31.36 mg/g, 29.78 mg/g and 27.70 mg/g, resp.). Flavonol glucosides were represented predominantly by Quercetin-3-O-galactoside, Quercetin-3-O-rhamnosyl-galactoside Quercetin-3-O-glucoside and Quercetin-3-O-rhamnosyl-glucoside (3.68 mg/g, 3.22 mg/g, 2.87 mg/g and 2.56 mg/g, resp.). trans-Resveratrol-3-O-glucoside, epicatechin (40.62 mg/g) and proanthocyanidin di- and -trimers (19.90 mg/g – 31.42 mg/g) also were present in the tea. ABTS cation decolorization assay revealed 1.248 mM UAE activity and the percent of DPPH radical scavenging was 14.25%, corresponding to 39.07μM Trolox equivalent This study involved multiple reactions and reactants, such as (2S,3R,4S,5S,6R)-2-(3-Hydroxy-5-((E)-4-hydroxystyryl)phenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol (cas: 27208-80-6HPLC of Formula: 27208-80-6).

(2S,3R,4S,5S,6R)-2-(3-Hydroxy-5-((E)-4-hydroxystyryl)phenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol (cas: 27208-80-6) 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. 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.HPLC of Formula: 27208-80-6

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Bioaccessibility of Apple Polyphenols from Peel and Flesh during Oral Digestion was written by Kaeswurm, Julia A. H.;Burandt, Melanie R.;Mayer, Pia S.;Straub, Leonie V.;Buchweitz, Maria. And the article was included in Journal of Agricultural and Food Chemistry in 2022.HPLC of Formula: 29106-49-8 The following contents are mentioned in the article:

Health benefits of apple polyphenols for different chronic diseases are postulated. To exert bioactive properties, absorption into the body is required (bioavailability), which is strongly influenced by matrix release (bioaccessibility). For seven apple varieties, in vitro experiments with simulated saliva fluid (SSF) and ex vivo digestion with centrifuged human saliva were conducted. Polyphenol characterization (high-performance liquid chromatog.-tandem mass spectrometry) and quantification (high performance liquid chromatog.-diode array detection) was related to an aqueous methanolic extraction A polyphenol release of 63-82% from flesh and 42-58% from peel was estimated While hydroxycinnamic acid derivatives were released in total, a significant retention was observed for flavanes and flavones. In particular, procyanidins were retained with increasing mol. weight The data reveal a considerable polyphenol release during the oral digestion; however, differences among the varieties as well as flesh and peel were obvious. Due to negligible differences between both digestion media, the data supported the use of SSF instead of human saliva in further experiments This study involved multiple reactions and reactants, such as (2R,2’R,3R,3’R,4R)-2,2′-Bis(3,4-dihydroxyphenyl)-[4,8′-bichromane]-3,3′,5,5′,7,7′-hexaol (cas: 29106-49-8HPLC of Formula: 29106-49-8).

(2R,2’R,3R,3’R,4R)-2,2′-Bis(3,4-dihydroxyphenyl)-[4,8′-bichromane]-3,3′,5,5′,7,7′-hexaol (cas: 29106-49-8) 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. 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.HPLC of Formula: 29106-49-8

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Evaluation of estrogenic and antiestrogenic activity in sludge and explanation of individual compound contributions was written by Cerna, Tereza;Ezechias, Martin;Semerad, Jaroslav;Grasserova, Alena;Cajthaml, Tomas. And the article was included in Journal of Hazardous Materials in 2022.Recommanded Product: 4,4′-Methylenediphenol The following contents are mentioned in the article:

Mixture toxicity, including agonistic and antagonistic effects, is an unrevealed environmental problem. Estrogenic endocrine disruptors are known to cause adverse effects for aquatic biota, but causative chems. and their contributions to the total activity in sewage sludge remain unknown. Therefore, advanced anal. methods, a yeast bioassay and mixture toxicity models were concurrently applied for the characterization of 8 selected sludges with delectable estrogenic activity (and 3 sludges with no activity as blanks) out of 25 samples from wastewater treatment plants (WWTPs). The first applied full logistic model adequately explained total activity by considering the concentrations of the monitored compounds The results showed that the activity was primarily caused by natural estrogens in municipal WWTP sludge. Nevertheless, activity in a sample originating from a car-wash facility was dominantly caused by partial agonists – nonylphenols – and only a model enabling prediction of all dose-response curve parameters of the final mixture curve explained these results. Antiestrogenic effects were negligible, and effect-directed anal. identified the causative chems. This study involved multiple reactions and reactants, such as 4,4′-Methylenediphenol (cas: 620-92-8Recommanded Product: 4,4′-Methylenediphenol).

4,4′-Methylenediphenol (cas: 620-92-8) belongs to alcohols. Because alcohols are easily synthesized and easily transformed into other compounds, they serve as important intermediates in organic synthesis. 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.Recommanded Product: 4,4′-Methylenediphenol

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Molecular mechanisms for pH-mediated amelioration of aluminum-toxicity revealed by conjoint analysis of transcriptome and metabolome in Citrus sinensis roots was written by Wu, Bi-Sha;Zhang, Jiang;Huang, Wei-Lin;Yang, Lin-Tong;Huang, Zeng-Rong;Guo, Jiuxin;Wu, Jincheng;Chen, Li-Song. And the article was included in Chemosphere in 2022.Electric Literature of C30H26O12 The following contents are mentioned in the article:

Little is known about the effects of pH-aluminum (Al) interactions on gene expression and/or metabolite profiles in plants. Eleven-week-old seedlings of Citrus sinensis were fertilized with nutrient solution at an Al level of 0 or 1 mM and a pH of 3.0 or 4.0 for 18 wk. Increased pH mitigated Al-toxicity-induced accumulation of callose, an Al-sensitive marker. In this study, we identified more differentially expressed genes and differentially abundant metabolites in pH 4.0 + 1 mM Al-treated roots (P4AR) vs pH 4.0 + 0 mM Al-treated roots (P4R) than in pH 3.0 + 1 mM Al-treated roots (P3AR) vs pH 3.0 + 0 mM Al-treated roots (P3R), suggesting that increased pH enhanced root metabolic adaptations to Al-toxicity. Further anal. indicated that increased pH-mediated mitigation of root Al-toxicity might be related to several factors, including: enhanced capacity to maintain the homeostasis of phosphate and energy and the balance between generation and scavenging of reactive oxygen species and aldehydes; and elevated accumulation of secondary metabolites such as polyphenol, proanthocyanidins and phenolamides and adaptations of cell wall and plasma membrane to Al-toxicity. This study involved multiple reactions and reactants, such as (2R,2’R,3R,3’R,4R)-2,2′-Bis(3,4-dihydroxyphenyl)-[4,8′-bichromane]-3,3′,5,5′,7,7′-hexaol (cas: 29106-49-8Electric Literature of C30H26O12).

(2R,2’R,3R,3’R,4R)-2,2′-Bis(3,4-dihydroxyphenyl)-[4,8′-bichromane]-3,3′,5,5′,7,7′-hexaol (cas: 29106-49-8) 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. Converting an alcohol to an alkene requires removal of the hydroxyl group and a hydrogen atom on the neighbouring carbon atom. Dehydrations are most commonly carried out by warming the alcohol in the presence of a strong dehydrating acid, such as concentrated sulfuric acid.Electric Literature of C30H26O12

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

The Role of the 1,2,3-Triazolyl Heterocycle in the Helical Columnar Assembly and Electric Field Response was written by Nguyen, Manh Linh;Byun, Jaeduk;Cho, Byoung-Ki. And the article was included in Journal of Physical Chemistry B in 2021.Safety of 3,7-Dimethyloctan-1-ol The following contents are mentioned in the article:

Here, we have proven the role of the 1,2,3-triazolyl group in the helical assembly and elec. field (E-field) response upon comparing liquid crystal analogs I and II (1 and 2, resp.) based on 1,2,3-triazolyl and 1,3,4-oxadiazolyl linkers, resp. An ordered helical column was only observed in 1, driven by the hydrogen-bonding interactions between the adjacent triazolyl nitrogen and hydrogen atoms. X-ray diffraction and energy simulations indicate that the helical column is a 11₂ helix and the helical axis does not coincide with the center of the mol. long axis. The key for the formation of the helical column is the tilted conformation of 1 originating from the steric repulsion between the triazolyl C-H and C-H of the aromatic core. Anal. of the dynamics in the simple hexagonal columnar phase revealed that the in-plane rotational motion of the triazolyl linker (1) is allowed, while the oxadiazolyl linker of 2 has limited conformational flexibility. A uniform alignment under an E-field only occurs in 1, demonstrating the requirement for conformational flexibility in the polar linker. This alignment enhances the elec. conductance of 1 by approx. two-fold. This study involved multiple reactions and reactants, such as 3,7-Dimethyloctan-1-ol (cas: 106-21-8Safety of 3,7-Dimethyloctan-1-ol).

3,7-Dimethyloctan-1-ol (cas: 106-21-8) belongs to alcohols. Because alcohols are easily synthesized and easily transformed into other compounds, they serve as important intermediates in organic synthesis. Alcohols may be oxidized to give ketones, aldehydes, and carboxylic acids. These functional groups are useful for further reactions. Oxidation of organic compounds generally increases the number of bonds from carbon to oxygen (or another electronegative element, such as a halogen), and it may decrease the number of bonds to hydrogen.Safety of 3,7-Dimethyloctan-1-ol

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts