Month: January 2023

Formation of coumarins from β-diketones and the structure of Kostanecki-Robinson acetylation product of γ-orcacetophenone and its 6-O-methyl ether was written by Ahluwalia, V. K.;Kumar, Devendra. And the article was included in Indian Journal of Chemistry in 1976.Computed Properties of C9H10O3 This article mentions the following:

Cyclization of 4,2,6-Me(MeO)2C6H2COCH2COMe (I) with HBr-Ac2O yields 4,7-dimethyl-5-methoxycoumarin (II). Coumarin (II) was obtained by similar cyclization of 6,2,4-Me(MeO)2C6H2COCH2COMe (III). A mechanism for the formation of II from I and III is indicated. Kostanecki-Robinson acetylation of γ-orcacetophenone and its 6-O-methyl ester gave IV (R = Ac, Me, resp). In the experiment, the researchers used many compounds, for example, 2′,6′-Dihydroxy-4′-methylacetophenone (cas: 1634-34-0Computed Properties of C9H10O3).

2′,6′-Dihydroxy-4′-methylacetophenone (cas: 1634-34-0) 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. 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.Computed Properties of C9H10O3

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Metabolism of ketoprofen-a molecular modelling analysis was written by Huq, Fazlul. And the article was included in International Journal of Pure & Applied Chemistry in 2007.Formula: C16H16O3 This article mentions the following:

Ketoprofen (KP) is a non-steroidal anti-inflammatory drug (NSAID) that is widely used in humans and veterinary medicine in the treatment of acute and chronic rheumatoid arthritis and various painful conditions. Increasing evidence suggests that reactive oxygen species (ROS) may contribute significantly to the development if intestinal lesions due to KP as are true with many other NSAIDs. Mol. modeling analyses based on mol. mechanics, semi-empirical (PM3) and DFT (at B3LYP/6-31G* level) calculations show that mol. surfaces of KP and its metabolites abound in neutral green and have electron-rich red and yellow regions so that they may be subject to lyophilic and electrophilic attacks. The mol. surfaces of KP and its metabolites are also found to possess some electron-deficient blue regions so that the compounds may be subject to nucleophilic attacks such as those due to glutathione and nucleobases in DNA resulting into glutathione depletion and oxidation of nucleobases. The depletion of glutathione produces oxidative stress as it compromises the antioxidant status of the cell whereas oxidation of nucleobases causes DNA damage. The oxidative stress in turn may cause lipid peroxidation and damage to other biomols. including proteins, enzymes and also DNA. In the experiment, the researchers used many compounds, for example, 2-(3-(Hydroxy(phenyl)methyl)phenyl)propanoic acid (cas: 59960-32-6Formula: C16H16O3).

2-(3-(Hydroxy(phenyl)methyl)phenyl)propanoic acid (cas: 59960-32-6) 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.Formula: C16H16O3

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Polymeric organometallic architectures of novel P-Se anions was written by Shi, Weifeng;Shafaei-Fallah, Maryam;Zhang, Le;Anson, Christopher E.;Matern, Eberhard;Rothenberger, Alexander. And the article was included in Chemistry – A European Journal in 2007.Recommanded Product: Sodium 2-methyl-2-propanethiolate This article mentions the following:

The characterization of compounds obtained from Woollins’ reagent (W.R., PhP(Se)(μ-Se)₂P(Se)Ph) offers a novel approach to organometallic coordination polymers. The syntheses were achieved by nucleophilic ring-opening reactions of W.R. with metal salts and crystallization using solvent-diffusion techniques. One-dimensional coordination polymers are formed as a result, and the dimensionality of the polymers can be influenced by using hydrated metal salts or by the construction of heterometallic arrangements. Compounds prepared and characterized by x-ray crystallog. include [K₂(PhP(Se)(O^tBu)Se)₂(THF)]_n, [Na₂(SePhP(Se)-P(Se)PhSe)(THF)₃]_n, [K₂(PhP(:Se)(Se^–)Se-SeP(:Se)(Se^–)Ph)(THF)₄], [Na₂(PhP(O)Se₂)(H₂O)₄(THF)], [Ni{Na(PhPSe₃)(THF)}₂]_n, and discrete cluster [Cu₄(PhSeP-O-PSePh)₂(PPh₃)₄]. 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. Because alcohols are easily synthesized and easily transformed into other compounds, they serve as important intermediates in organic synthesis. 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.Recommanded Product: Sodium 2-methyl-2-propanethiolate

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Arylsulfonyl fluoride boronic acids: Preparation and coupling reactivity was written by Lou, Terry Shing-Bong;Willis, Michael C.. And the article was included in Tetrahedron in 2020.Related Products of 68716-49-4 This article mentions the following:

Arylboronic acids, substituted in o-, m- and p-positions with SO₂F group were prepared according to efficient and practical procedure as reagents for Suzuki coupling with aryl halides for synthesis of versatile arenesulfonyl fluorides. The syntheses of the para- and meta-isomers commence with the appropriate bromo-substituted benzenesulfonyl chlorides, and the ortho-isomer is prepared from benzenesulfonyl fluoride. The boronic acids undergo efficient Suzuki-Miyaura coupling reactions with a range of aryl halides. We also report an efficient Rh(I)-catalyzed conjugate addition reaction using the para-substituted boronic acid. In the experiment, the researchers used many compounds, for example, 2-(4-Bromophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (cas: 68716-49-4Related Products of 68716-49-4).

2-(4-Bromophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (cas: 68716-49-4) 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.Related Products of 68716-49-4

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Excited-State Palladium-Catalyzed Radical Migratory Mizoroki-Heck Reaction Enables C2-Alkenylation of Carbohydrates was written by Yao, Wang;Zhao, Gaoyuan;Wu, Yue;Zhou, Lin;Mukherjee, Upasana;Liu, Peng;Ngai, Ming-Yu. And the article was included in Journal of the American Chemical Society in 2022.Safety of (1R,2S,5R)-2-Isopropyl-5-methylcyclohexanol This article mentions the following:

Excited-state palladium catalysis has emerged as a promising strategy for developing novel and valuable reactions. Herein, we report the first excited-state Pd-catalyzed 1,2-radical migratory Mizoroki-Heck reaction that enables C2-alkenylation of carbohydrates using readily available 1-bromosugars and alkenes. The reaction tolerates a wide variety of functional groups and complex mol. architectures, including derivatives of natural products and marketed drugs. Preliminary mechanistic studies and DFT calculations suggest the involvement of visible-light-induced photoexcitation of Pd species, 1,2-spin-centered-shift (SCS) process, and Heck-type cross-coupling reaction. The reaction expands the reactivity profile of excited-state Pd catalysis and provides a streamlined protocol for the preparation of a wide variety of C2-alkenylated carbohydrate mimetics to aid the discovery and development of new therapeutics, agrochems., and materials. In the experiment, the researchers used many compounds, for example, (1R,2S,5R)-2-Isopropyl-5-methylcyclohexanol (cas: 2216-51-5Safety 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.Safety of (1R,2S,5R)-2-Isopropyl-5-methylcyclohexanol

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Regio- and stereoselective hydroxylation of some nitrogen heterocyclic compounds by microorganisms was written by Zefirov, N. S.;Terent’ev, P. B.;Modyanova, L. V.;Dovgilevich, E. V.. And the article was included in Indian Journal of Chemistry in 1993.Formula: C7H9NO This article mentions the following:

Microbial hydroxylation of pyridine and alkylpyridines, as well as of some saturated monocyclic compounds, provides an efficient regio- and stereoselective route to biol. active and synthetically useful hydroxy derivatives Thus, the picolines I (R = 2-, 3-, 4-Me) are converted by fungi, such as Aspergillus and Penicillium, into the corresponding pyridinemethanols I (R = 2-, 3-, 4-CH₂OH) in up to 45% yields. Transformation of condensed polycyclic N-heterocycles, however proceeds in a different manner. In the experiment, the researchers used many compounds, for example, 6-Methyl-2-pyridinemethanol (cas: 1122-71-0Formula: C7H9NO).

6-Methyl-2-pyridinemethanol (cas: 1122-71-0) 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.Formula: C7H9NO

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Nickel-Catalyzed Photodehalogenation of Aryl Bromides was written by Higginson, Bradley;Sanjose-Orduna, Jesus;Gu, Yiting;Martin, Ruben. And the article was included in Synlett in 2021.Synthetic Route of C12H16BBrO2 This article mentions the following:

Herein, Ni-catalyzed photodehalogenation of aryl bromides under visible-light irradiation that utilizes THF as hydrogen source were described. The protocol obviated the need for exogenous amine reductants or photocatalysts and was characterized by its simplicity and broad scope, including challenging substrate combinations. In the experiment, the researchers used many compounds, for example, 2-(4-Bromophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (cas: 68716-49-4Synthetic Route of C12H16BBrO2).

2-(4-Bromophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (cas: 68716-49-4) 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.Synthetic Route of C12H16BBrO2

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Catalyst-Free α-Alkylation-α-Hydroxylation of Oxindole with Alcohols was written by Wu, Siwei;Song, Wei;Zhu, Runyu;Hu, Jingwen;Zhao, Lin;Li, Zheyao;Yu, Xinhong;Xia, Chengcai;Zhao, Jianhong. And the article was included in Journal of Organic Chemistry in 2022.Application of 873-76-7 This article mentions the following:

A green and economical protocol for the synthesis of 3-alkyl-3-hydroxyoxindoles I [R¹ = H, 6-Cl, 6-Br, etc.; R² = Ph, 2-ClC₆H₄, 2-pyridyl, etc.] was developed for the first time via α-alkylation-α-hydroxylation of oxindole with aryl alcs. without using any transition-metal catalysts in yields of 29-93%. In the experiment, the researchers used many compounds, for example, (4-Chlorophenyl)methanol (cas: 873-76-7Application of 873-76-7).

(4-Chlorophenyl)methanol (cas: 873-76-7) 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 of 873-76-7

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

SlWRKY35 positively regulates carotenoid biosynthesis by activating the MEP pathway in tomato fruit was written by Yuan, Yong;Ren, Siyan;Liu, Xiaofeng;Su, Liyang;Wu, Yu;Zhang, Wen;Li, Yan;Jiang, Yidan;Wang, Hsihua;Fu, Rao;Bouzayen, Mondher;Liu, Mingchun;Zhang, Yang. And the article was included in New Phytologist in 2022.Computed Properties of C4H10O4 This article mentions the following:

Carotenoids are vital phytonutrients widely recognized for their health benefits. Therefore, it is vital to thoroughly investigate the metabolic regulatory network underlying carotenoid biosynthesis and accumulation to open new leads towards improving their contents in vegetables and crops. The outcome of our study defines SlWRKY35 as a pos. regulator of carotenoid biosynthesis in tomato. SlWRKY35 can directly activate the expression of the 1-deoxy-d-xylulose 5-phosphate synthase (SlDXS1) gene to reprogramme metabolism towards the 2-C-methyl-d-erythritol 4-phosphate (MEP) pathway, leading to enhanced carotenoid accumulation. We also show that the master regulator SlRIN directly regulates the expression of SlWRKY35 during tomato fruit ripening. Compared with the SlLCYE overexpression lines, coexpression of SlWRKY35 and SlLCYE can further enhance lutein production in transgenic tomato fruit, indicating that SlWRKY35 represents a potential target towards designing innovative metabolic engineering strategies for carotenoid derivatives In addition to providing new insights into the metabolic regulatory network associated with tomato fruit ripening, our data define a new tool for improving fruit content in specific carotenoid compounds In the experiment, the researchers used many compounds, for example, (2R,3S)-rel-Butane-1,2,3,4-tetraol (cas: 149-32-6Computed Properties of C4H10O4).

(2R,3S)-rel-Butane-1,2,3,4-tetraol (cas: 149-32-6) 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.Computed Properties of C4H10O4

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Attractiveness of alkylamines and aminoalcohols related to the aggregation attractant pheromone of the German cockroach, Blattella germanica (L.) (Dictyoptera: Blattellidae) was written by Sakuma, Masayuki;Fukami, Hiroshi;Kuwahara, Yasumasa. And the article was included in Applied Entomology and Zoology in 1997.HPLC of Formula: 14123-48-9 This article mentions the following:

Alkylamines, aminoalcs., and alcs. related to the aggregation attractant pheromone of the German cockroach were examined for their attractiveness to nymphs by using a linear track olfactometer. Free amines and aminoalcs., which were too volatile to be retained on a dispenser, were continuously applied as aqueous solution onto the air-intake of the olfactometer, and amine hydrochlorides were dispensed on metal disks as dry material to simulate the natural condition where the attractant amines occur as salt. All the examined C1-C6 alkylamines including primary, secondary and tertiary amines represented both chemotaxis and anemotaxis, potencies of which were evaluated as ED₅₀ by probit anal. The potencies of free amines were almost the same: chemotaxis ranged from 0.56 nmol/min of trimethylamine to 4.1 nmol/min of pyrrolidine, whereas those of hydrochlorides were separated into moderately active primary and more active secondary and tertiary amine hydrochlorides. In the aminoalcs. structurally related to the principal pheromonal component 1-dimethylamino-2-methyl-2-propanol, 1-dimethylamino-2-propanol was the most potent at 0.098 nmol/min. In the experiment, the researchers used many compounds, for example, 1-(Dimethylamino)-2-methylpropan-2-ol (cas: 14123-48-9HPLC of Formula: 14123-48-9).

1-(Dimethylamino)-2-methylpropan-2-ol (cas: 14123-48-9) 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. 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: 14123-48-9

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts