Tag: 100-200

Probing the Catalytic Promiscuity of a Regio- and Stereospecific C-Glycosyltransferase from Mangifera indica was written by Chen, Dawei;Chen, Ridao;Wang, Ruishan;Li, Jianhua;Xie, Kebo;Bian, Chuancai;Sun, Lili;Zhang, Xiaolin;Liu, Jimei;Yang, Lin;Ye, Fei;Yu, Xiaoming;Dai, Jungui. And the article was included in Angewandte Chemie, International Edition in 2015.SDS of cas: 1634-34-0 This article mentions the following:

The catalytic promiscuity of the novel benzophenone C-glycosyltransferase, MiCGT, which is involved in the biosynthesis of mangiferin from Mangifera indica, was explored. MiCGT exhibited a robust capability to regio- and stereospecific C-glycosylation of 35 structurally diverse druglike scaffolds and simple phenolics with UDP-glucose, and also formed O- and N-glycosides. Moreover, MiCGT was able to generate C-xylosides with UDP-xylose. The OGT-reversibility of MiCGT was also exploited to generate C-glucosides with simple sugar donor. Three aryl-C-glycosides exhibited potent SGLT2 inhibitory activities with IC₅₀ values of 2.6 ×, 7.6 ×, and 7.6 × 10^-7 M, resp. These findings demonstrate for the first time the significant potential of an enzymic approach to diversification through C-glycosidation of bioactive natural and unnatural products in drug discovery. In the experiment, the researchers used many compounds, for example, 2′,6′-Dihydroxy-4′-methylacetophenone (cas: 1634-34-0SDS of cas: 1634-34-0).

2′,6′-Dihydroxy-4′-methylacetophenone (cas: 1634-34-0) 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. The most common reactions of alcohols can be classified as oxidation, dehydration, substitution, esterification, and reactions of alkoxides.SDS of cas: 1634-34-0

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Synthesis of bismaleate pentaerythritol ester and its application as PVC auxiliary heat stabilizer was written by Gao, Xinxin;Jiang, Pingping;Zhang, Zheming;Li, Zhenhua;Li, Yuchao;Leng, Yan;Zhang, Pingbo. And the article was included in Journal of Applied Polymer Science in 2022.Related Products of 111-46-6 This article mentions the following:

Diethylene glycol and maleic anhydride are used as raw materials to prepare bismaleic acid dibasic acid without catalyst. This intermediate product reacts with pentaerythritol (PER) to obtain bismaleate pentaerythritol (MDPP) as an auxiliary heat stabilizer. The structure of the product was verified by Fourier IR test and hydrogen nuclear magnetic spectrum anal. The ether bond, ester group, carbon-carbon double bond, polyol, and other characteristic structures contained in the mol. can improve thermal stability. Therefore, it can be used as an auxiliary heat stabilizer for PVC and used in combination with the main heat stabilizer. In order to verify the thermal stability performance and further analyze the thermal stability mechanism, testing methods such as thermal aging, Congo red, thermal weight loss, and elec. conductivity were adopted. The results show that when MDPP is added together with calcium/zinc stearate, the thermal stability of PVC is the best. The initial whiteness can reach 40 min, and the static stabilization time is 65 min, which is 15 min higher than the PVC sample with PER and calcium/zinc stearate. It can be seen that MDPP has greatly improved performance compared with the com. auxiliary heat stabilizer PER. In the experiment, the researchers used many compounds, for example, 2,2′-Oxybis(ethan-1-ol) (cas: 111-46-6Related Products of 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. 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.Related Products of 111-46-6

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

New chiral metal cluster systems for catalytic asymmetric syntheses of chiral alcohols was written by Li, Yan-yun;Chen, Jian-shan;Yang, Chuan-bo;Dong, Zhen-rong;Li, Bao-zhu;Zhang, Hui;Gao, Jing-xing;Takao, Ikariya. And the article was included in Chemical Research in Chinese Universities in 2004.Name: (R)-1-(3-Chlorophenyl)ethanol This article mentions the following:

Efficient chiral Ru₃(CO)₁₂ systems were prepared in situ from Ru₃(CO)₁₂ and various chiral diimino- or diamino-diphosphine tetradentate ligands ((S,S)- and (R,R)-1,2-bis[[[2-(diphenylphosphino)phenyl]methylene]amino]cyclohexane, -1,2-bis[[[2-(diphenylphosphino)phenyl]methyl]amino]cyclohexane, -2-Ph₂PC₆H₄CH:NCHPhCHPhN:CHC₆H₄PPh₂-2 and -2-Ph₂PC₆H₄CH₂NHCHPhCHPhNHCH₂C₆H₄PPh₂-2), the preparation of which is described. The systems were used for the asym. transfer hydrogenation of propiophenone in iso-PrOH, leading to 1-phenyl-1-propanol in a 98% yield and 96% ee. The IR study suggests that the carbonyl hydride anion [HRu₃(CO)₁₁]^– most probably exists as a principal species under the reaction conditions. The high chiral efficiency may be due to the synergetic effect produced by the neighboring Ru atoms and a special chiral micro-environment involving the polydentate ligand and the Ru₃ framework. 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. The oxygen atom of the strongly polarized O―H bond of an alcohol pulls electron density away from the hydrogen atom. This polarized hydrogen, which bears a partial positive charge, can form a hydrogen bond with a pair of nonbonding electrons on another oxygen atom. The most common reactions of alcohols can be classified as oxidation, dehydration, substitution, esterification, and reactions of alkoxides.Name: (R)-1-(3-Chlorophenyl)ethanol

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Characterisation of the volatile profile of microalgae and cyanobacteria using solid-phase microextraction followed by gas chromatography coupled to mass spectrometry was written by Moran, Lara;Bou, Gemma;Aldai, Noelia;Ciardi, Martina;Morillas-Espana, Ainoa;Sanchez-Zurano, Ana;Barron, Luis Javier R.;Lafarga, Tomas. And the article was included in Scientific Reports in 2022.Synthetic Route of C8H16O This article mentions the following:

Microalgae and microalgae-derived ingredients are one of the top trends in the food industry. However, consumers acceptance and purchase intention of a product will be largely affected by odor and flavor. Surprisingly, the scientific literature present a very limited number of studies on the volatile composition of microalgae and cyanobacteria. In order to fill the gap, the main objective of the present study was to elucidate the volatile composition of seven microalgal and cyanobacterial strains from marine and freshwaters, with interest for the food industry while establishing its potential impact in odor. Among the seven selected strains, Arthrospira platensis showed the highest abundance and chem. diversity of volatile organic compounds (VOCs). Aldehydes, ketones, and alcs. were the families with the highest diversity of individual compounds, except in Arthrospira platensis and Scenedesmus almeriensis that showed a profile dominated by branched hydrocarbons. Marine strains presented a higher abundance of sulfur compounds than freshwater strains, while the ketones individual profile seemed to be more related to the taxonomical domain. The results of this study indicate that the VOCs composition is mainly driven by the individual strain although some volatile profile characteristics could be influenced by both environmental and taxonomical factors. In the experiment, the researchers used many compounds, for example, Oct-1-en-3-ol (cas: 3391-86-4Synthetic Route of C8H16O).

Oct-1-en-3-ol (cas: 3391-86-4) 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. 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.Synthetic Route of C8H16O

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Agronomic and metabolomics analysis of rice-Tartary buckwheat (Fagopyrum tataricum Gaertn) bred by hybridization was written by Wang, Yan;Guan, Zhixiu;Liang, Chenggang;Liao, Kai;Xiang, Dabing;Huang, Juan;Wei, Chunyu;Shi, Taoxiong;Chen, Qingfu. And the article was included in Scientific Reports in 2022.Reference of 149-32-6 This article mentions the following:

Tartary buckwheat (TB) is an edible pseudocereal with good health benefits, but its adhering thick shell and bitter taste inhibit its consumption. In this study, the first hybrid rice-Tartary buckwheat (RTB) variety Mikuqiao18 (M18), bred by the pedigree selection of crossbreeding ‘Miqiao’ (MQ) with ‘Jingqiaomai2’ (JQ2), was selected for an agronomic and metabolomics anal. Compared with JQ2, M18 demonstrated a significantly lower yield per plant owing to the decreased grain weight and similar full-filling grain number per plant. However, M18 had a similar kernel weight per plant because of the thinner shell. The sense organ test suggested that M18 had higher taste quality regardless of partial replacement of rice through the improvement of preponderant indicators related to cereal taste quality, including lower values of total protein, albumin, glutelin, globulin, pasting temperature, cool paste viscosity, and setback. Meanwhile, M18 contained high levels of flavonoids, including rutin and quercetin, but presented a pos. summary appraisal of cooking with 25% rice. Addnl., 92 metabolites were pos. identified by GC-MS, including 59 differentially expressed metabolites (DEMs) between M18 and JQ2. Typically, M18 exhibited lower levels of 20 amino acids and higher levels of 6 sugars and 4 polyols. These DEMs might partly explain the superior eating quality of M18. In addition, M18 was abundant in 4-aminobutyric acid, which is beneficial to human health. The current findings offer a theor. foundation for breeding rice-Tartary buckwheat with high yield and quality and promoting the cultivation and consumption of rice-Tartary buckwheat as a daily functional cereal. In the experiment, the researchers used many compounds, for example, (2R,3S)-rel-Butane-1,2,3,4-tetraol (cas: 149-32-6Reference of 149-32-6).

(2R,3S)-rel-Butane-1,2,3,4-tetraol (cas: 149-32-6) 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. 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.Reference of 149-32-6

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

The efficacy of the adjunct use of subgingival air-polishing therapy with erythritol powder compared to conventional debridement alone during initial non-surgical periodontal therapy was written by Divnic-Resnik, Tihana;Pradhan, Harold;Spahr, Axel. And the article was included in Journal of Clinical Periodontology in 2022.Application In Synthesis of (2R,3S)-rel-Butane-1,2,3,4-tetraol This article mentions the following:

Aim : To assess the efficacy of the adjunct use of a subgingival erythritol powder air-polishing device (EPAP) in comparison to conventional subgingival instrumentation alone during initial non-surgical periodontal therapy. Materials and Methods : Twenty-one patients with generalized Stages 2 and 3 grade B periodontitis were included in this single center, single blinded, split-mouth, randomized clin. trial. Teeth on the control side were treated with conventional hand and ultrasonic instrumentation, while those on the contralateral test side was treated using EPAP as adjunct to conventional subgingival instrumentation with hand and ultrasonic instruments. Three months after initial instrumentation, persisting pockets of ≥4 mm were re-treated, in both control and test sides, again with the resp. treatment approach-subgingival instrumentation alone on control, and subgingival instrumentation + EPAP on test side. Clin. parameters such as probing pocket depth (PPD), bleeding on probing, and relative attachment level were recorded at baseline and 3 and 6 mo following the initial instrumentation. Subgingival plaque samples were collected at baseline, immediately post surgery, as well as at 1 wk, 1 mo, 3 mo, and 6 mo after initial instrumentation. Results : In the test group after 6 mo, a significantly larger number of initially deep pockets (PPD ≥ 5.5 mm) were reduced to shallow (PPD ≤ 3.4 mm), and a larger attachment gain was observed No statistically significant microbiol. differences could be found between test and control group. Conclusions : The results of the present study indicate that the adjunct use of subgingival airflow therapy with EPAP during initial non-surgical periodontal therapy might be beneficial in initially deep pockets (PPD ≥ 5.5 mm). In the experiment, the researchers used many compounds, for example, (2R,3S)-rel-Butane-1,2,3,4-tetraol (cas: 149-32-6Application In Synthesis of (2R,3S)-rel-Butane-1,2,3,4-tetraol).

(2R,3S)-rel-Butane-1,2,3,4-tetraol (cas: 149-32-6) 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. 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.Application In Synthesis of (2R,3S)-rel-Butane-1,2,3,4-tetraol

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Synergistic catalysis within core-shell Fe₃O₄@SiO₂ functionalized with triethylene glycol (TEG)-imidazolium ionic liquid and tetramethylpiperidine N-oxyl (TEMPO) boosting selective aerobic oxidation of alcohols was written by Karimi, Babak;Ghaffari, Bahareh;Vali, Hojatollah. And the article was included in Journal of Colloid and Interface Science in 2021.Formula: C7H6Cl2O This article mentions the following:

It is expected that incorporation of 2, 2, 6, 6-tetra-Me piperidine-N-oxyl radical (TEMPO) and an imidazolium bromide bearing hydrophilic triethylene glycol (TEG) groups on Fe₃O₄@SiO₂ core-shell may not only result in a novel highly water-dispersible/magnetically separable multi-functional catalyst system for metal-free aerobic oxidation of alcs., which operates through a synergistic relay pathway, but it could potentially provide a strong platform for simultaneous separation and recycling of all components. The catalyst was prepared by anchoring TEMPO moieties onto a magnetic core-shell Fe₃O₄@SiO₂ functionalized with an ionic liquid bearing TEG groups. The materials was characterized using transmission electron microscopy, Fourier transform IR spectroscopy, nitrogen adsorption-desorption isotherms, thermal gravimetric anal., and elemental anal. The performance of the catalyst was evaluated and quant. measured in the aerobic oxidation of alcs. in water. The catalyst exhibited excellent and stable colloidal dispersion in water and high performance in the aerobic oxidation of various types of alcs. under metal- and halogen-free reaction conditions. As hypothesized, strong synergistic effect between functionalized components was seen in the described reaction. The catalyst displayed excellent dual-adjustable-selectivity in the oxidation of primary alcs. to either the corresponding aldehydes or carboxylic acids by tuning the reaction solvent and/or reaction time and excellent recycling behavior through a “double-separation-strategy”. In the experiment, the researchers used many compounds, for example, (2,4-Dichlorophenyl)methanol (cas: 1777-82-8Formula: C7H6Cl2O).

(2,4-Dichlorophenyl)methanol (cas: 1777-82-8) 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. 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.Formula: C7H6Cl2O

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Corrosion inhibition property and promotion of green basil leaves extract materials on Ti-Zr conversion composite coatings was written by Tian, Yuqin;Zhong, Li;Sheng, Xinxin;Zhang, Xinya. And the article was included in Advanced Composites and Hybrid Materials in 2022.Application In Synthesis of 5-Isopropyl-2-methylphenol This article mentions the following:

In this study, the extract obtained from green plant basil leaves was introduced into a corrosion medium NaCl solution to investigate the corrosion inhibition ability of basil leaves extract (BLE) on aluminum alloy (AA6061). The influence of BLE on the corrosion resistance of Ti-Zr conversion coatings (TiZrCCs) on AA6061 was also investigated. The protective performance of BLE on AA6061 was investigated through SEM (SEM). The TiZrCCs were characterized by SEM, XPS, and electrochem. tests including potentiodynamic polarization curves and electrochem. impedance spectroscopy. The results of SEM show that BLE effectively prevented AA6061 from producing corrosion products during immersion in corrosive media. As for the TiZrCCs, SEM results reveal that BLE helped to form a more complete conversion coating and greatly improved the problem of coating cracks. Compared with the blank conversion coating, the corrosion rate of the coating with the introduction of BLE decreased from 0.043 to 0.007 mpy. In addition, d. functional theory calculation was performed on several main substances in BLE, including methyleugenol, carvacrol, linalool, rosmarinic acid, and eugenol, and the reactivity and reaction sites of each mol. were theor. analyzed. The results indicate that rosmarinic acid has the maximum electronegativity and the min. hardness, as well as the best reactivity. Green plant basil leaves extract materials can effectively promote the coating formation process of titanium-zirconium conversion coatings and enhance the corrosion resistance of the coatings. In the experiment, the researchers used many compounds, for example, 5-Isopropyl-2-methylphenol (cas: 499-75-2Application In Synthesis of 5-Isopropyl-2-methylphenol).

5-Isopropyl-2-methylphenol (cas: 499-75-2) 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.Application In Synthesis of 5-Isopropyl-2-methylphenol

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Metallacyclohexadiene and Metallabenzene Chemistry. Part 18. Synthesis, Structure, Spectroscopy, and Reactivity of a Neutral Iridathiabenzene was written by Bleeke, John R.;Hinkle, Paul V.;Shokeen, Monica;Rath, Nigam P.. And the article was included in Organometallics in 2004.Formula: C4H9NaS This article mentions the following:

Treatment of the cationic iridathiabenzene [cyclic][CH:C(Me)C(Me):CHS:Ir(PEt₃)₃]⁺BF₄^– (3) with Na tert-butylthiolate gives a stable neutral iridathiabenzene, [cyclic]CH:C(Me)C(Me):CHS:Ir(PEt₃)₂(S-tert-Bu) (4). Compound 4 exists in solution as an equilibrating mixture of two square pyramidal isomers, cis 4a and trans 4b. When 4 is cooled to -30° in MeCN, it precipitates as an MeCN adduct, [cyclic]CH:C(Me)C(Me):CHSIr(PEt₃)₂(S-tert-Bu)(NCMe) (6), featuring an iridathiacyclohexa-1,3-diene ring system. Compound 6 reverts back to 4 upon redissolving and warming to room temperature Treatment of 4 (or 6) with excess PMe₃ results in addition of PMe₃ to the Ir center and replacement of the bulky PEt₃ ligands with PMe₃‘s, producing [cyclic]CH:C(Me)C(Me):CHSIr(PMe₃)₃(S-tert-Bu) (7) as a mixture of equilibrating isomers, cis 7a and trans 7b. Compound 7, like 6, includes a nonaromatic iridathiacyclohexa-1,3-diene ring. When 4 in MeCN solvent (or 6) is reacted with trifluoromethanesulfonic acid, protonation occurs at the thiolate S, causing loss of thiol. The resulting cationic fragment dimerizes to produce [cyclic]{[CH:C(Me)C(Me):CHSIr(PEt₃)₂(NCMe)]₂}²⁺(O₃SCF₃^–)₂ (8), in which the two Ir centers are bridged by the two ring sulfurs. Finally, treatment of 4 (or 6) with [(η⁵-C₅Me₅)Ru(NCMe)₃]⁺O₃SCF₃^– gave the sandwich compound [cyclic]{η⁵-[CH:C(Me)C(Me):CHSIr(PEt₃)₂(S-tert-Bu)]Ru(η⁵-C₅Me₅)}⁺O₃SCF₃^– (9), which exists in solution as an equilibrating mixture of isomers, cis 9a and trans 9b. Compounds 4a, 7a, 8, and 9a were structurally characterized by x-ray diffraction. In the experiment, the researchers used many compounds, for example, Sodium 2-methyl-2-propanethiolate (cas: 29364-29-2Formula: C4H9NaS).

Sodium 2-methyl-2-propanethiolate (cas: 29364-29-2) belongs to alcohols. The oxygen atom of the strongly polarized O―H bond of an alcohol pulls electron density away from the hydrogen atom. This polarized hydrogen, which bears a partial positive charge, can form a hydrogen bond with a pair of nonbonding electrons on another oxygen atom. Grignard and organolithium reagents are powerful tools for organic synthesis, and the most common products of their reactions are alcohols.Formula: C4H9NaS

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Identification of chemicals leaching from dental resin-based materials after in vitro chemical and salivary degradation was written by Vervliet, Philippe;De Nys, Siemon;Duca, Radu Corneliu;Boonen, Imke;Godderis, Lode;Elskens, Marc;Van Landuyt, Kirsten L.;Covaci, Adrian. And the article was included in Dental Materials in 2022.Application In Synthesis of 2,2′-Oxybis(ethan-1-ol) This article mentions the following:

Only little is known about degradation of methacrylate monomers. Therefore, using in vitro chem. and saliva degradation this study aimed to identify the degradation products of organic compounds present in resin-based dental materials. Ten dental monomers and nine polymerized dental resin-based materials were immersed for 24 h in chem. media (0.1 M HCl, 0.1 M NaOH) and human pooled saliva in order to identify leached monomers and degradation products from chem. and saliva degradation Samples were analyzed using liquid chromatog. coupled to high-resolution mass spectrometry to identify previously unknown degradation products. During in vitro chem. degradation, uncured monomers were rapidly hydrolyzed into mono- and demethacrylated degradation products. During chem. degradation in alk. conditions of polymerized materials, considered the worst-case scenario, only degradation products could be detected. In acidic conditions, monomers and their degradation products were detected. In addition, different additives such as EDMAB, DMPA and HMBP were present in acidic degradation samples. Degradation in human pooled saliva for 24 h to mimic the in vivo situation, resulted in the identification of both monomers and their degradation products. Using state-of-the-art high-resolution mass spectrometry previously unknown degradation products of commonly used monomers were identified for the first time. Patients may be exposed to monomers and their degradation products in the first 24 h after restorative procedures. The results provide a base for further research on the degradation of resin-based dental composites in order to assess their safety using elution and toxicity studies. In the experiment, the researchers used many compounds, for example, 2,2′-Oxybis(ethan-1-ol) (cas: 111-46-6Application In Synthesis of 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. Grignard and organolithium reagents are powerful tools for organic synthesis, and the most common products of their reactions are alcohols.Application In Synthesis of 2,2′-Oxybis(ethan-1-ol)

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts