Tag: 100-200

A base promoted multigram synthesis of aminoisoxazoles: valuable building blocks for drug discovery and peptidomimetics was written by Chalyk, Bohdan A.;Kandaurova, Inna Y.;Hrebeniuk, Kateryna V.;Manoilenko, Olga V.;Kulik, Irene B.;Iminov, Rustam T.;Kubyshkin, Vladimir;Tverdokhlebov, Anton V.;Ablialimov, Osman K.;Mykhailiuk, Pavel K.. And the article was included in RSC Advances in 2016.Name: 1-Boc-Azetidine-3-yl-methanol This article mentions the following:

A practical multigram metal free synthesis of isoxazole-containing building blocks from com. available amino acids was elaborated. The key reaction was a regioselective [3+2]-cycloaddition of in-situ generated nitrile oxides with alkynes/enamines. The obtained building blocks were used in the preparation of bioactive compounds and peptidomimetics. In the experiment, the researchers used many compounds, for example, 1-Boc-Azetidine-3-yl-methanol (cas: 142253-56-3Name: 1-Boc-Azetidine-3-yl-methanol).

1-Boc-Azetidine-3-yl-methanol (cas: 142253-56-3) 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. The most common reactions of alcohols can be classified as oxidation, dehydration, substitution, esterification, and reactions of alkoxides.Name: 1-Boc-Azetidine-3-yl-methanol

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Efficient asymmetric synthesis of chiral alcohols using high 2-propanol tolerance alcohol dehydrogenase SmADH2 via an environmentally friendly TBCR system was written by Yang, Zeyu;Fu, Hengwei;Ye, Wenjie;Xie, Youyu;Liu, Qinghai;Wang, Hualei;Wei, Dongzhi. And the article was included in Catalysis Science & Technology in 2020.Quality Control of (R)-1-(3-Chlorophenyl)ethanol This article mentions the following:

Alc. dehydrogenases (ADHs) together with the economical substrate-coupled cofactor regeneration system play a pivotal role in the asym. synthesis of chiral alcs.; however, severe challenges concerning the poor tolerance of enzymes to 2-propanol and the adverse effects of the byproduct, acetone, limit its applications, causing this strategy to lapse. Herein, a novel ADH gene smadh2 was identified from Stenotrophomonas maltophilia by traditional genome mining technol. The gene was cloned into Escherichia coli cells and then expressed to yield SmADH2. SmADH2 has a broad substrate spectrum and exhibits excellent tolerance and superb activity to 2-propanol even at 10.5 M (80%, volume/volume) concentration Moreover, a new thermostatic bubble column reactor (TBCR) system is successfully designed to alleviate the inhibition of the byproduct acetone by gas flow and continuously supplement 2-propanol. The organic waste can be simultaneously recovered for the purpose of green synthesis. In the sustainable system, structurally diverse chiral alcs. are synthesized at a high substrate loading (>150 g L^-1) without adding external coenzymes. Among these, about 780 g L^-1 (6 M) Et acetoacetate is completely converted into Et (R)-3-hydroxybutyrate in only 2.5 h with 99.9% ee and 7488 g L^-1 d^-1 space-time yield. Mol. dynamics simulation results shed light on the high catalytic activity toward the substrate. Therefore, the high 2-propanol tolerance SmADH2 with the TBCR system proves to be a potent biocatalytic strategy for the synthesis of chiral alcs. on an industrial scale. In the experiment, the researchers used many compounds, for example, (R)-1-(3-Chlorophenyl)ethanol (cas: 120121-01-9Quality Control of (R)-1-(3-Chlorophenyl)ethanol).

(R)-1-(3-Chlorophenyl)ethanol (cas: 120121-01-9) 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. Grignard and organolithium reagents are powerful tools for organic synthesis, and the most common products of their reactions are alcohols.Quality Control of (R)-1-(3-Chlorophenyl)ethanol

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Structure-Activity Relationship Explorations and Discovery of a Potent Antagonist for the Free Fatty Acid Receptor 2 was written by Hoejgaard Hansen, Anders;Christensen, Henriette B.;Pandey, Sunil K.;Sergeev, Eugenia;Valentini, Alice;Dunlop, Julia;Dedeo, Domonkos;Fratta, Simone;Hudson, Brian D.;Milligan, Graeme;Ulven, Trond;Rexen Ulven, Elisabeth. And the article was included in ChemMedChem in 2021.Recommanded Product: 2968-93-6 This article mentions the following:

Free fatty acid receptor 2 (FFA2) is a sensor for short-chain fatty acids that has been identified as an interesting potential drug target for treatment of metabolic and inflammatory diseases. Although several ligand series are known for the receptor, there is still a need for improved compounds One of the most potent and frequently used antagonists is the amide-substituted phenylbutanoic acid known as CATPB (1). We here report the structure-activity relationship exploration of this compound, leading to the identification of homologues with increased potency. The preferred compound 37 (TUG-1958) was found, besides improved potency, to have high solubility and favorable pharmacokinetic properties. In the experiment, the researchers used many compounds, for example, 2-(4-(Trifluoromethyl)phenyl)ethanol (cas: 2968-93-6Recommanded Product: 2968-93-6).

2-(4-(Trifluoromethyl)phenyl)ethanol (cas: 2968-93-6) 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. 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.Recommanded Product: 2968-93-6

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Indium(III)-Catalyzed Synthesis of Primary Carbamates and N-Substituted Ureas was written by Jain, Isha;Malik, Payal. And the article was included in Synlett in 2022.Application In Synthesis of (1R,2S,5R)-2-Isopropyl-5-methylcyclohexanol This article mentions the following:

An indium triflate-catalyzed synthesis of primary carbamates RXC(O)NH₂ [R = i-Bu, Bn, Ph, etc.; X= O, N] from alcs. and urea as an ecofriendly carbonyl source was developed. Various linear, branched, and cyclic alcs. were converted into the corresponding carbamates in good to excellent yields. This method also provided access to N-substituted ureas by carbamoylation of amines. All the products were obtained by simple filtration or crystallization, without the need for chromatog. purification Mechanistic investigations suggested that the carbamoylation reaction proceeded through activation of urea by O-coordination with indium, followed by nucleophilic attack by the alc. or amine on the carbonyl center of urea. The inexpensive and easily available starting materials and catalyst, the short reaction times, and the ease of product isolation highlighted the inherent practicality of the developed method. In the experiment, the researchers used many compounds, for example, (1R,2S,5R)-2-Isopropyl-5-methylcyclohexanol (cas: 2216-51-5Application In Synthesis of (1R,2S,5R)-2-Isopropyl-5-methylcyclohexanol).

(1R,2S,5R)-2-Isopropyl-5-methylcyclohexanol (cas: 2216-51-5) belongs to alcohols. Alkyl halides are often synthesized from alcohols, in effect substituting a halogen atom for the hydroxyl group. 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.Application In Synthesis of (1R,2S,5R)-2-Isopropyl-5-methylcyclohexanol

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Synthesis of the first sulfur-35-labeled hERG radioligand was written by Raab, Conrad E.;Butcher, John W.;Connolly, Thomas M.;Karczewski, Jerzy;Yu, Nathan X.;Staskiewicz, Steven J.;Liverton, Nigel;Dean, Dennis C.;Melillo, David G.. And the article was included in Bioorganic & Medicinal Chemistry Letters in 2006.Related Products of 29364-29-2 This article mentions the following:

The synthesis of the first high specific activity S-35-labeled hERG radioligand, [³⁵S]MK-0499, for use in high-throughput-screening (HTS) assays of drug candidates for hERG interaction is described. The radioligand is prepared by [³⁵S]sulfonylation of a high diastereomeric excess (de) aniline precursor prepared from unlabeled MK-0499. In the experiment, the researchers used many compounds, for example, Sodium 2-methyl-2-propanethiolate (cas: 29364-29-2Related Products of 29364-29-2).

Sodium 2-methyl-2-propanethiolate (cas: 29364-29-2) 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. 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.Related Products of 29364-29-2

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Metabolic, cellular and defense responses to single and co-exposure to carbamazepine and methylmercury in Dreissena polymorpha was written by Baratange, Clement;Paris-Palacios, Severine;Bonnard, Isabelle;Delahaut, Laurence;Grandjean, Dominique;Wortham, Laurence;Sayen, Stephanie;Gallorini, Andrea;Michel, Jean;Renault, David;Breider, Florian;Loizeau, Jean-Luc;Cosio, Claudia. And the article was included in Environmental Pollution (Oxford, United Kingdom) in 2022.Category: alcohols-buliding-blocks This article mentions the following:

Carbamazepine (CBZ) and Hg are widespread and persistent micropollutants in aquatic environments. Both pollutants are known to trigger similar toxicity mechanisms, e.g. reactive oxygen species (ROS) production Here, their effects were assessed in the zebra mussel Dreissena polymorpha, frequently used as a freshwater model in ecotoxicol. and biomonitoring. Single and co-exposures to CBZ (3.9 μg L-1) and MeHg (280 ng L-1) were performed for 1 and 7 days. Metabolomics analyses evidenced that the co-exposure was the most disturbing after 7 days, reducing the amount of 25 metabolites involved in protein synthesis, energy metabolism, antioxidant response and osmoregulation, and significantly altering cells and organelles structure supporting a reduction of functions of gills and digestive glands. CBZ alone after 7 days decreased the amount of α-aminobutyric acid and had a moderate effect on the structure of mitochondria in digestive glands. MeHg alone had no effect on mussels metabolome, but caused a significant alteration of cells and organelles structure in gills and digestive glands. Single exposures and the co-exposure increased antioxidant responses vs control in gills and digestive glands, without resulting in lipid peroxidation, suggesting an increased ROS production caused by both pollutants. Data globally supported that a higher number of hyperactive cells compensated cellular alterations in the digestive gland of mussels exposed to CBZ or MeHg alone, while CBZ + MeHg co-exposure overwhelmed this compensation after 7 days. Those effects were unpredictable based on cellular responses to CBZ and MeHg alone, highlighting the need to consider mol. toxicity pathways for a better anticipation of effects of pollutants in biota in complex environmental conditions. In the experiment, the researchers used many compounds, for example, (2R,3S)-rel-Butane-1,2,3,4-tetraol (cas: 149-32-6Category: alcohols-buliding-blocks).

(2R,3S)-rel-Butane-1,2,3,4-tetraol (cas: 149-32-6) 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.Category: alcohols-buliding-blocks

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

COSMO Study on the Heptane-Toluene-DMF/DEG-KSCN Liquid-Liquid Equilibrium System was written by Fernanda Bonfim de Souza, Beatriz;Lenhare, Stephanie;Cristaldo Heck, Stenio;Zuber, Andre;Beneti, Stephani Caroline;Zanette, Andreia Fatima;Filho, Lucio Cardozo. And the article was included in Industrial & Engineering Chemistry Research in 2022.Reference of 111-46-6 This article mentions the following:

The class of aromatic hydrocarbons is one of the most important in the petrochem. industry. As they are in a multicomponent mixture with aliphatics, separation represents a huge challenge given the proximity of their b.ps., and liquid-liquid extraction represents a good alternative to conventional separation processes. In this paper, liquid-liquid equilibrium data of a heptane-toluene-dimethylformamide (DMF)-diethylene glycol (DEG) system in the presence and absence of potassium thiocyanate salt were obtained and used to study solvation of ions in the DMF-DEG polar mixture solvent, using COnductor-like Screening MOdel (COSMO) modeling. It was verified that the solvation complexes failed to describe the system equilibrium despite the otherwise expected. COSMO-RS (realistic solvents) calculations of the unsolvated ions presented better approximation with exptl. data compared to COSMO-SAC (segment activity coefficient) ones. The best simulation obtained with nonsolvated ions occurred probably due to π electron interactions with ion charge and hydrogen bond with the solvent. In the experiment, the researchers used many compounds, for example, 2,2′-Oxybis(ethan-1-ol) (cas: 111-46-6Reference of 111-46-6).

2,2′-Oxybis(ethan-1-ol) (cas: 111-46-6) 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. 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.Reference of 111-46-6

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Alcohol – Wikipedia,
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Effects on Pseudosuccinea columella Snails Exposed to Origanum vulgare and Thymus vulgaris Volatile Oils was written by do Carmo Sperandio, Natania;Vidal, Maria Larissa Bitencourt;da Silva, Ygor Henrique;Ito, Mitsue;Costa, Adilson Vidal;de Queiroz, Vagner Tebaldi;Ignacchiti, Mariana Drummond Costa;Boeloni, Jankerle Neves;Martins, Isabella Vilhena Freire. And the article was included in Revista Brasileira de Farmacognosia in 2022.Recommanded Product: 5-Isopropyl-2-methylphenol This article mentions the following:

Fasciolosis is an anthropozoonosis of clin. and economic importance that affects several mammals. The causative agent, Fasciola hepatica, has as an obligate intermediate host, the snail Pseudosuccinea columella; therefore, control actions against the mollusks are essential to control the disease. This study aims to evaluate the effect of volatile oils of Origanum vulgare L. and Thymus vulgaris L., both species members of Lamiaceae family, and their resp. major compounds, carvacrol and thymol, as an alternative in the control of the American ribbed fluke snail. The specimens were immersed in solutions with concentrations of 0.025% (mv-1), 0.05% (mv^-1), and 0.1% (mv^-1) and analyzed at 30 min, 2 h, 6 h, 12 h, and 24 h in relation to motility, adhesion in the plate, response to painful stimulus, and mortality. For ovigerous masses, the interruption or not of embryonic development was analyzed, with observations every 72 h up to 18 days. All compounds promoted the mortality of mollusks and the paralysis of the embryonic development. The test constituents promoted mortality after 30 min. Histol. analyses indicated the occurrence of necrosis, mainly in the digestive gland and in the albumen gland and disorganized connective tissue. In the experiment, the researchers used many compounds, for example, 5-Isopropyl-2-methylphenol (cas: 499-75-2Recommanded Product: 5-Isopropyl-2-methylphenol).

5-Isopropyl-2-methylphenol (cas: 499-75-2) 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. 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.Recommanded Product: 5-Isopropyl-2-methylphenol

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Composition of four essential oils obtained from plants from Cameroon, and their bactericidal and bacteriostatic activity against Listeria monocytogenes, Salmonella enteritidis and Staphylococcus aureus was written by Gardini, Fausto;Belletti, Nicoletta;Ndagijimana, Maurice;Guerzoni, Maria E.;Tchoumbougnang, Francois;Zollo, Paul H. Amvam;Micci, Claudio;Lanciotti, Rosalba;Sado Kamdem, Sylvain L.. And the article was included in African Journal of Microbiology Research in 2009.Safety of rel-(1s,4s)-4-(2-Hydroxypropan-2-yl)-1-methylcyclohexanol hydrate This article mentions the following:

The composition of four essential oils (EOs) extracted by hydrodistillation from plants of common use in Cameroon (Curcuma longa, Xylopia aethiopica, Zanthoxylum leprieurii L., Zanthoxylum xanthoxyloides) was assessed by gas chromatog.-mass. Their bactericidal and bacteriostatic activity was tested in vitro against three food borne pathogenic bacteria: Listeria monocytogenes, Salmonella enteritidis and Staphylococcus aureus. The bacteriostatic activities of this EOs on food borne bacteria were assessed in vitro through optical d. measurements. The minimal bactericidal concentrations (MBC) were determined in broth combined with a spot plating method. Z. xanthoxyloides and Z. leprieurii showed a similar composition, with a prevalence of oxygenated monoterpenes (about 58%). The EO of Z. xanthoxyloides was the most effective against the microorganisms tested. Its higher concentration of geraniol could be linked to this higher activity. In almost all cases, the MBC was higher than the maximum concentration tested (3000 ppm). Notwithstanding their low bactericidal effect, the EOs studied showed interesting inhibiting activities against the tested food borne pathogens. S. enteritidis was the most resistant to the bacteriostatic effect of the four EOs. The knowledge of the antimicrobial potential of local plant EOs used in developing countries could help in their choice and their use to improve food safety and shelf-life. In the experiment, the researchers used many compounds, for example, rel-(1s,4s)-4-(2-Hydroxypropan-2-yl)-1-methylcyclohexanol hydrate (cas: 2451-01-6Safety of rel-(1s,4s)-4-(2-Hydroxypropan-2-yl)-1-methylcyclohexanol hydrate).

rel-(1s,4s)-4-(2-Hydroxypropan-2-yl)-1-methylcyclohexanol hydrate (cas: 2451-01-6) 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. 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.Safety of rel-(1s,4s)-4-(2-Hydroxypropan-2-yl)-1-methylcyclohexanol hydrate

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

A reusable MOF supported single-site nickel-catalyzed direct N-alkylation of anilines with alcohols was written by Lu, Yuanyuan;Chai, Huining;Yu, Kun;Huang, Chaonan;Li, Yujie;Wang, Jinyu;Ma, Jiping;Tan, Weiqiang;Zhang, Guangyao. And the article was included in Tetrahedron in 2022.Quality Control of (4-Chlorophenyl)methanol This article mentions the following:

A highly selective and reusable Ni(II)-bipyridine-based metal-organic framework (MOF) catalyst was designed for direct N-alkylation of amines with alcs. through a borrowing hydrogen (BH) strategy. This earth-abundant metal-based metal-organic framework catalyst significantly outperforms its homogeneous analogs and is reusable for at least up to 4 cycles without significant decrease in the yield of the target product. In the experiment, the researchers used many compounds, for example, (4-Chlorophenyl)methanol (cas: 873-76-7Quality Control of (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. Grignard and organolithium reagents are powerful tools for organic synthesis, and the most common products of their reactions are alcohols.Quality Control of (4-Chlorophenyl)methanol

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts