Tag: 100-200

Ruthenium-catalyzed hydrogenation of aromatic ketones using chiral diamine and monodentate achiral phosphine ligands was written by Wang, Mengna;Zhang, Ling;Sun, Hao;Chen, Qian;Jiang, Jian;Li, Linlin;Zhang, Lin;Li, Li;Li, Chun. And the article was included in Catalysis Communications in 2021.SDS of cas: 171032-87-4 This article mentions the following:

The Ru-catalyzed asym. hydrogenation of ketones with chiral diamine and monodentate achiral phosphine has been developed. A wide range of ketones were hydrogenated to afford the corresponding chiral secondary alcs. in good to excellent enantioselectivities (up to 98.1% ee). In addition, an appropriate mechanism for the asym. hydrogenation was proposed and verified by NMR spectroscopy. In the experiment, the researchers used many compounds, for example, (S)-1-(2-Fluorophenyl)ethanol (cas: 171032-87-4SDS of cas: 171032-87-4).

(S)-1-(2-Fluorophenyl)ethanol (cas: 171032-87-4) 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.SDS of cas: 171032-87-4

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Novel series of pyrrolotriazine analogs as highly potent pan-Aurora kinase inhibitors was written by Abraham, Sunny;Hadd, Michael J.;Tran, Lan;Vickers, Troy;Sindac, Janice;Milanov, Zdravko V.;Holladay, Mark W.;Bhagwat, Shripad S.;Hua, Helen;Ford Pulido, Julia M.;Cramer, Merryl D.;Gitnick, Dana;James, Joyce;Dao, Alan;Belli, Barbara;Armstrong, Robert C.;Treiber, Daniel K.;Liu, Gang. And the article was included in Bioorganic & Medicinal Chemistry Letters in 2011.Recommanded Product: Sodium 2-methyl-2-propanethiolate This article mentions the following:

The synthesis and SAR for a novel series of pyrrolotriazines as pan-Aurora kinase inhibitors are described. Optimization of the cyclopropane carboxamide terminus of lead compound I resulted in analogs with high cellular activity and improved rat PK profiles. Notably, pyrrolotriazine II demonstrated tumor growth inhibition in a mouse xenograft model. In the experiment, the researchers used many compounds, for example, Sodium 2-methyl-2-propanethiolate (cas: 29364-29-2Recommanded Product: Sodium 2-methyl-2-propanethiolate).

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. 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: Sodium 2-methyl-2-propanethiolate

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Fate and transport modelling framework for assessing risks to soil and groundwater from chemicals accidentally released during surface operations: An Australian example application from shale gas developments was written by Mallants, Dirk;Doble, Rebecca;Beiraghdar, Yousef. And the article was included in Journal of Hydrology (Amsterdam, Netherlands) in 2022.Name: 2,2′-Oxybis(ethan-1-ol) This article mentions the following:

Shale and tight gas developments in the Beetaloo (28,000 km²) and Cooper (139,000 km²) basins of Australia are subject to stringent State and Federal Government controls and assessments. Several scientific investigations are ongoing to improve the scientific basis of the risks from unconventional gas developments to water and the environment. In this study a framework was developed to derive estimates of chem. dilution associated with leakage to groundwater from accidental release of chems. used for shale and tight gas extraction in Australia. The quant. assessment accounted for key landscape parameters that determine natural attenuation: soil type, depth to groundwater and groundwater velocity. Both basins were discretised into 1000 x 1000 m² grids for which the unsaturated zone and groundwater dilution factors were derived. Migration of chems. through deep unsaturated zones was calculated with the HYDRUS-1D simulator, taking account of best-available hydraulic properties from a digital soil database. A three-dimensional anal. solution of the advection-dispersion equation provided estimates of dilution in groundwater after solutes travelled 500 m from the center (source location) to the edge of every grid cell. The combined vadose zone-groundwater dilution factors were used to determine under which conditions concentrations of hydraulic fracturing chems. or flowback water accidentally released into the environment would decrease to levels that are no longer considered harmful to the environment. When the method was applied to 39 hydraulic fracturing chems. scheduled for stimulation of a shale gas well, ecotoxicol. risk quotients (RQ) were calculated to indicate which chems. were of no environmental concern. This work contributes to increasing the efficiency of quant. impact assessments and provides a framework to develop dedicated monitoring and management practices to support regulation and management of the gas industry in Australia. In the experiment, the researchers used many compounds, for example, 2,2′-Oxybis(ethan-1-ol) (cas: 111-46-6Name: 2,2′-Oxybis(ethan-1-ol)).

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

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Photolabile Well-Defined Polystyrene Grafted on Silica Nanoparticle via Nitroxide-Mediated Polymerization (NMP) was written by Ho, Hien The;Phan, Trang N. T.;Bonnevide, Marine;Malicki, Nicolas;Couty, Marc;Jestin, Jacques;Gigmes, Didier. And the article was included in Macromolecular Rapid Communications in 2021.Application of 60463-12-9 This article mentions the following:

Herein, the synthesis of a novel nitroxide-mediated polymerization (NMP) initiator bearing a photolabile ortho-nitrobenzyl (oNB) group allowing surface-initiated NMP preparation of well-defined photoresponsive polystyrene grafted on silica nanoparticles is described. The photocleavable and photoresponsive properties of the prepared materials are demonstrated using small angle X-ray scattering (SAXS) characterization. In the experiment, the researchers used many compounds, for example, 3-(Hydroxymethyl)-4-nitrophenol (cas: 60463-12-9Application of 60463-12-9).

3-(Hydroxymethyl)-4-nitrophenol (cas: 60463-12-9) 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. 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.Application of 60463-12-9

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Rongalite-Mediated Transition Metal- and Hydride-Free Chemoselective Reduction of α-Keto Esters and α-Keto Amides was written by Golla, Sivaparwathi;Kokatla, Hari Prasad. And the article was included in Journal of Organic Chemistry in 2022.Formula: C7H7ClO This article mentions the following:

A transition metal- and hydride-free protocol was developed for the chemoselective reduction of α-keto esters and αketo amides using rongalite as a reducing agent. Here, rongalite acts as a hydride-free reducing agent via a radical mechanism. This protocol offered the synthesis of a wide range of α-hydroxy esters ArCHOHC(O)OR [Ar = Ph, 4-MeC₆H₄, 1-naphthyl, etc.; R = Et, i-Pr, Bn, etc.] and α-hydroxy amides ArCHOHC(O)NR¹R² [Ar = Ph, 4-MeC₆H₄, 4-MeOC₆H₄, etc.; R¹ = H, Me; R² = Ph, 4-MeC₆H₄, Bn, etc.] with 85-98% yields. This chemoselective method was compatible with other reducible functionalities such as halides, alkenes, amides and nitriles. The use of inexpensive rongalite (ca. $0.03/1 g), mild reaction conditions, and gram-scale synthesis were some of the key features of this methodol. Also, cyclandelate, a vasodilator drug, was synthesized in gram scale with 79% yield. In the experiment, the researchers used many compounds, for example, (4-Chlorophenyl)methanol (cas: 873-76-7Formula: C7H7ClO).

(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.Formula: C7H7ClO

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Reinforced catalytic oxidation of polyoxometalate@charge transfer complex by on-site heating from photothermal conversion was written by Chen, Xiaofei;Yang, Aibing;Wang, Gengxin;Wei, Mingfeng;Liu, Ning;Li, Bao;Wu, Lixin. And the article was included in Chemical Engineering Journal (Amsterdam, Netherlands) in 2022.Recommanded Product: (4-Chlorophenyl)methanol This article mentions the following:

Near IR (NIR) absorption at low energy region has been demonstrated to devoted to photothermal conversion efficiently. This process provides a possibility for valuable extension in emerging photothermal catalysis following a specific approach of mol. composition To exploit novel photothermal materials in increasing the catalytic activity of comment catalysts, a typical yet unnoticed charge transfer (CT) complex of 3,3′,5,5′-tetramethylbenzidine (TMB_CT) is used here as an on-site heater. Through the electrostatic complexation of cationic CT complex bearing strong NIR absorption with series polyanionic clusters, composite catalysts are prepared These nano-assembled catalysts in size of 5-10 nm display integrated NIR photothermal effect and highly enhanced catalysis for the mild oxidation of toluene and its derivatives into corresponding alcs. with high conversion and selection. While NIR photothermal stability of TMB_CT is maintained, the catalytic activity of inorganic clusters is largely improved. The increments in conversion unattainable under external heating condition are realized and the extension to the mild oxidation of thioethers and olefins into sulfoxides and epoxides with acceptable catalytic recyclability and structural stability are demonstrated. All results from the detailed characterizations figure out the applicability of the NIR photothermal conversion to the catalytic reactions with similar catalytic centers. In the experiment, the researchers used many compounds, for example, (4-Chlorophenyl)methanol (cas: 873-76-7Recommanded Product: (4-Chlorophenyl)methanol).

(4-Chlorophenyl)methanol (cas: 873-76-7) 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. Grignard and organolithium reagents are powerful tools for organic synthesis, and the most common products of their reactions are alcohols.Recommanded Product: (4-Chlorophenyl)methanol

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Comprehensive study of chemical composition and biological activity of Thymus pubescens Boiss. et Kotschy ex Celak was written by Yigitkan, Serkan;Akdeniz, Mehmet;Yener, Ismail;Seker, Zeki;Yilmaz, Mustafa Abdullah;Firat, Mehmet;Kavak, Deniz Evrim;Yilmaz Koseoglu, Pelin;Ertas, Abdulselam;Kolak, Ufuk;Orhan, Ilkay Erdogan. And the article was included in South African Journal of Botany in 2022.Formula: C10H14O This article mentions the following:

The use of Thymus species amongst the public and their importance in the scientific world is increasing day by day. In addition to being consumed as tea and spice, Thymus species are used as folk medicine for respiratory, digestive, skin, circulatory, genital, nervous, visual and urinary diseases. In this study, it was aimed to examine the essential oil and ethanol extract of the root and aerial parts of Thymus pubescens Boiss. et Kotschy ex Celak in the terms of their biol. activity and chem. content. The phenolic content of the species was determined by LC-MS/MS, while triterpenoid content, the chem. composition of the essential oil as well as flavor was determined by GC-MS. In addition, their antioxidant and cytotoxic activities, as well as acetyl- (AChE) and butyrylcholinesterase (BChE), urease, tyrosinase, elastase, collagenase, HMG-CoA reductase and angiotensin-converting enzyme (ACE) inhibitory activities were studied. Thymol (53.33%) was determined as the major component in the essential oil, while β-fenchyl alc. (43.87%) was determined as the major component of the flavor. According to the LC-MS/MS and GC-MS results, it was found that especially the aerial parts of the species have a high amount of rosmarinic acid (3875.76 μg analyte/g extract), quinic acid (2392.55), naringenin (970.39), oleanolic (92785.96) and ursolic (63373.32) acids. The essential oil of T. pubescens species was observed to show high activity in four antioxidant assays, e.g. inhibition of lipid peroxidation, DPPH and ABTS radical scavenging activity as well as CUPRAC, while the ethanol extracts showed moderate antioxidant activity. In enzyme inhibition assays, the aerial parts exerted marked BChE, elastase, and collagenase inhibitory activities (92.43±1.28%, 42.59±0.56, and 48.61±0.39 at 100 μg/mL, resp.). On the other hand, AChE, urease, tyrosinase, HMG-CoA reductase and ACE inhibitory activities of all extracts were from low to moderate levels. In particular, the aerial parts of the species displayed a high cytotoxic effect (vitality%: 6.82±0.01 at 200 μg/mL) in breast cancer (MCF-7) cell line. Due to its remarkable antioxidant capacity, high content of rosmarinic, oleanolic, and ursolic acids and especially BChE, elastase, and collagenase inhibitory activity, T. pubescens has the potential for using in food supplements, food preservatives, cosmetics, and pharmaceutical industries. In the experiment, the researchers used many compounds, for example, 5-Isopropyl-2-methylphenol (cas: 499-75-2Formula: C10H14O).

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. 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.Formula: C10H14O

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

The chemistry of β-polycarbonyl compounds. I. Cyclization to furan and coumarin derivatives was written by Anderton, K.;Rickards, R. W.. And the article was included in Journal of the Chemical Society in 1965.HPLC of Formula: 1634-34-0 This article mentions the following:

In the presence of a base and the appropriate halogen, heptane-2,4,6-trione undergoes intramolecular cyclization to furans, which exist exclusively as the enolic tautomers. Intermolecular condensation of ethyl acetoacetate in the presence of sodium ethoxide leads to a coumarin. In the experiment, the researchers used many compounds, for example, 2′,6′-Dihydroxy-4′-methylacetophenone (cas: 1634-34-0HPLC of Formula: 1634-34-0).

2′,6′-Dihydroxy-4′-methylacetophenone (cas: 1634-34-0) 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.HPLC of Formula: 1634-34-0

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Highly efficient synthesis of pharmaceutically relevant chiral 3-N-substituted-azacyclic alcohols using two enantiocomplementary short chain dehydrogenases was written by Yang, Lin;Zhang, Yiping;Liu, Yan;Wang, Hualei;Wei, Dongzhi. And the article was included in Biochemical Engineering Journal in 2022.Quality Control of (S)-1-(2-Fluorophenyl)ethanol This article mentions the following:

Two stereocomplementary alc. dehydrogenases from Flavobacterium psychrophilum (FpADH) and Flavobacterium sp. was reported. (FsADH), which showed the potential industrial application in highly efficient synthesis of a series of enantiomerically pure 3-N-substituted-azacyclic alochols. Both the enzymes showed high catalytic activity toward the model substrate N-Boc-4-piperidone (NBPO) and presented a strict enantioselectivity for the corresponding alc. products. In addition, both enzymes showed broad substrate scope, including ketoesters, acryl ketones and heterocyclic ketones. Using glucose dehydrogenase coexpressed with each of the enzymes to realize the efficient coenzyme recycling, various pharmaceutically relevant chiral 3-N-Boc azacyclic alcs. were asym. synthesized at high substrate concentrations (343.7-643.8 g/L) and low equilvelent of NADP⁺ (0.1 mM) with excellent enantioselectivity (> 99.5% e.e), which have met the requirements of biocatalytic processes in the industry and demonstrated the feasibility of FpADH and FsADH for industrial application in the biotransformation of chiral 3-N-substituted-azacyclic alcs. The mol. basis of the enantioselectivity and catalytic efficiency of both enzymes were revealed the by mol. docking and MD simulation anal. In the experiment, the researchers used many compounds, for example, (S)-1-(2-Fluorophenyl)ethanol (cas: 171032-87-4Quality Control of (S)-1-(2-Fluorophenyl)ethanol).

(S)-1-(2-Fluorophenyl)ethanol (cas: 171032-87-4) belongs to alcohols. Alkyl halides are often synthesized from alcohols, in effect substituting a halogen atom for the hydroxyl group. 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.Quality Control of (S)-1-(2-Fluorophenyl)ethanol

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Diastereo- and Enantioselective Iridium Catalyzed Coupling of Vinyl Aziridines with Alcohols: Site-Selective Modification of Unprotected Diols and Synthesis of Substituted Piperidines was written by Wang, Gang;Franke, Jana;Ngo, Chinh Q.;Krische, Michael J.. And the article was included in Journal of the American Chemical Society in 2015.SDS of cas: 1122-71-0 This article mentions the following:

The chiral cyclometalated π-allyliridium ortho-C,O-benzoate complex derived from [Ir(cod)Cl]₂, allyl acetate, 4-cyano-3-nitro-benzoic acid, and (R)-MeO-BIPHEP catalyzes the coupling of N-(p-nitrophenylsulfonyl) protected vinyl aziridine with primary alcs. to furnish branched products of C-C bond formation with good levels of anti-diastereo- and enantioselectivity. In the presence of 2-propanol, but under otherwise identical conditions, vinyl aziridine and aldehydes engage in reductive coupling to furnish an equivalent set of adducts with roughly equivalent levels of anti-diastereo- and enantioselectivity. Using enantiomeric iridium catalysts, vinyl aziridine reacts with unprotected chiral 1,3-diols in a site-selective manner to deliver the diastereomeric products of C-allylation syn- and anti-stereoisomers, resp., with good isolated yields and excellent levels of catalyst-directed diastereoselectivity. These adducts were directly converted to the diastereomeric 2,4,5-trisubstituted piperidines syn- and anti-stereoisomers. In the experiment, the researchers used many compounds, for example, 6-Methyl-2-pyridinemethanol (cas: 1122-71-0SDS of cas: 1122-71-0).

6-Methyl-2-pyridinemethanol (cas: 1122-71-0) 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.SDS of cas: 1122-71-0

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts