Tag: 100-200

Synthesis, spectral characterization, SC-XRD, HSA, DFT and catalytic activity of a dioxidomolybdenum complex with aminosalicyl-hydrazone Schiff base ligand: An experimental and theoretical approach was written by Kargar, Hadi;Fallah-Mehrjardi, Mehdi;Behjatmanesh-Ardakani, Reza;Munawar, Khurram Shahzad;Ashfaq, Muhammad;Tahir, Muhammad Nawaz. And the article was included in Polyhedron in 2021.Computed Properties of C7H6Cl2O This article mentions the following:

A new dioxidomolybdenum(VI) complex has been successfully prepared by the reaction of an ONO donor Schiff base, derived by condensing 4-amino-2-hydroxybenzohydrazide and 3-methoxysalicylaldehyde, with MoO₂(acac)₂. The structures of synthesized products were explored spectroscopically through FT-IR, ¹H & ¹³C NMR and by elemental composition (CHN) through combustion anal. The structural investigations of the dioxidomolybdenum(VI) complex were accomplished by taking its diffraction data through X-ray crystallog. The tridentate Schiff base ligand is bonded to the central metal through its deprotonated enolic and phenolic oxygen atoms and by the nitrogen of the azomethine group. The interpretation of the data obtained through diffraction anal. validates the distorted octahedral geometry of the prepared metal complex. QTAIM, MEP and NCI calculations and Hirshfeld surface anal. were performed to investigate the nature and types of non-covalent linkages present among the sample mols. The theor. calculations, performed by DFT using the B3LYP/Def2-TZVP level of theory, direct that the intended outcomes are in compliance with the actual consequences. Furthermore, the catalytic potential of the molybdenum complex was explored for the selective oxidation of benzylic alcs. to the desirable aryl aldehydes at room temperature in the presence of 70% aqueous tert-Bu hydroperoxide (TBHP) under solvent-free conditions. The main advantage of the present catalytic work is the accomplishment of reaction in a short period of time, high percentage yield and easy work-out procedure. In the experiment, the researchers used many compounds, for example, (2,4-Dichlorophenyl)methanol (cas: 1777-82-8Computed Properties of C7H6Cl2O).

(2,4-Dichlorophenyl)methanol (cas: 1777-82-8) 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. 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.Computed Properties of C7H6Cl2O

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Reinvestigating FeBr₃-Catalyzed Alcohol Oxidation with H₂O₂: Is High-valent Iron Species (HIS) or Reactive Brominating Species (RBS) Responsible for Alcohol Oxidation? was written by He, Chenxi;Ma, Foqing;Zhang, Wei;Tong, Rongbiao. And the article was included in Organic Letters in 2022.Related Products of 873-76-7 This article mentions the following:

The in-situ generated RBS from the related FeBr₂/H₂O₂ or CeBr₃/H₂O₂ systems, (2) This results of a series of controlled experiments, and (3) some related RBS-based precedents (NBS, NBA, or Br₂) showing similar high oxidation selectivity of secondary over primary alcs. These studies enable to discover that RBS from CeBr₃/H₂O₂ was much more efficient for the oxidation of secondary and benzylic alcs., which represents a new green protocol for selective oxidation of alcs. to carbonyls. In the experiment, the researchers used many compounds, for example, (4-Chlorophenyl)methanol (cas: 873-76-7Related Products of 873-76-7).

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

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

A general carbonyl alkylative amination for tertiary amine synthesis was written by Kumar, Roopender;Floden, Nils J.;Whitehurst, William G.;Gaunt, Matthew J.. And the article was included in Nature (London, United Kingdom) in 2020.Electric Literature of C11H14ClN This article mentions the following:

The ubiquity of tertiary alkylamines in pharmaceutical and agrochem. agents, natural products and small-mol. biol. probes has stimulated efforts towards their streamlined synthesis. Arguably the most robust method for the synthesis of tertiary alkylamines is carbonyl reductive amination, which comprises two elementary steps: the condensation of a secondary alkylamine with an aliphatic aldehyde to form an all-alkyl-iminium ion, which is subsequently reduced by a hydride reagent. Direct strategies were sought for a ‘higher order’ variant of this reaction via the coupling of an alkyl fragment with an alkyl-iminium ion that was generated in situ. However, despite extensive efforts, the successful realization of a ‘carbonyl alkylative amination’ has not yet been achieved. Here the authors present a practical and general synthesis of tertiary alkylamines through the addition of alkyl radicals to all-alkyl-iminium ions. The process is facilitated by visible light and a silane reducing agent, which trigger a distinct radical initiation step to establish a chain process. This operationally straightforward, metal-free and modular transformation forms tertiary amines, without structural constraint, via the coupling of aldehydes and secondary amines with alkyl halides. The structural and functional diversity of these readily available precursors provides a versatile and flexible strategy for the streamlined synthesis of complex tertiary amines. In the experiment, the researchers used many compounds, for example, 2,3,4,5-Tetrahydro-1H-1,5-methanobenzo[d]azepine hydrochloride (cas: 230615-52-8Electric Literature of C11H14ClN).

2,3,4,5-Tetrahydro-1H-1,5-methanobenzo[d]azepine hydrochloride (cas: 230615-52-8) 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. 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 C11H14ClN

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Exposure to Contaminated River Water is Associated with Early Hatching and Dysregulation of Gene Expression in Early Life Stages of the Endangered Copper Redhorse (Moxostoma hubbsi) was written by Marchand, H.;Barst, B. D.;Boulanger, E.;Vachon, N.;Houde, M.;Xia, J.;Liu, P.;Ewald, J. D.;Bayen, S.;Liu, L.;Head, J. A.. And the article was included in Environmental Toxicology and Chemistry in 2022.Recommanded Product: 499-75-2 This article mentions the following:

The copper redhorse (Moxostoma hubbsi) is an endangered fish that spawns exclusively in the Richelieu River (Quebec, Canada). Tributaries of the Richelieu are contaminated with high levels of current-use pesticides, which may impact early-life stage (ELS) copper redhorse and other native fishes. We assessed the effects of exposure to contaminated river water on ELS copper redhorse and river redhorse (Moxostoma carinatum), a related fish that shares the copper redhorse’s spawning grounds and nursery habitat. A riverside flow-through system was used to expose copper and river redhorse embryos (1000 each) to Richelieu River water or laboratory water as a control. Fish were maintained until 14 days posthatch, and water samples were taken daily for chem. anal. Following a heavy rain event, concentrations of two neonicotinoid pesticides, clothianidin and thiamethoxam, exceeded water quality guidelines for aquatic life (20 ng/L). Using nontargeted screening, we tentatively identified an addnl. 24 pharmaceutical and personal care products and 23 pesticides in river water. Effects of river water on ELS fish were observed in both species, but the copper redhorse appeared to be more sensitive. Fish exposed to river water hatched 10.7 (copper redhorse) and 2.4 (river redhorse) cumulative degree days earlier than controls. Copper redhorse survival was significantly lower in river water (73 ± 16%) compared to laboratory water (93 ± 3%), whereas river redhorse survival was similar between treatments (84 ± 6% and 89 ± 4%, resp.). Sequencing of copper redhorse larvae RNA revealed 18 differentially expressed genes (DEGs) following 14 days of exposure to river water. Eight up-regulated DEGs were linked to immune function and injury response, and seven down-regulated DEGs were involved with digestion and nutrient absorption. The present study provided valuable data on the effects of ELS exposure to a real-world mixture of contaminants in two fish species of concern. In the experiment, the researchers used many compounds, for example, 5-Isopropyl-2-methylphenol (cas: 499-75-2Recommanded Product: 499-75-2).

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

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Rhodium-catalyzed asymmetric transfer hydrogenation of aryl alkyl ketones employing ligands derived from amino acids was written by Wettergren, Jenny;Zaitsev, Alexey B.;Adolfsson, Hans. And the article was included in Advanced Synthesis & Catalysis in 2007.HPLC of Formula: 171032-87-4 This article mentions the following:

The combination of (pentamethylcyclopentadienyl)rhodium dichloride dimer [{RhCl₂Cp*}₂] and pseudodipeptide ligands, formed from N-Boc protected amino acids and amino alcs., resulted in efficient and selective catalysts for the asym. transfer hydrogenation of ketones in 2-propanol. A number of different secondary alcs., e.g., I, were obtained in high yields and in excellent enantioselectivity using these in situ formed catalysts. Deuterium-labeling experiments showed that the hydride transfer reaction occurs via the monohydridic route. In the experiment, the researchers used many compounds, for example, (S)-1-(2-Fluorophenyl)ethanol (cas: 171032-87-4HPLC of Formula: 171032-87-4).

(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.HPLC of Formula: 171032-87-4

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Electro organic synthesis as green and sustainable approach for synthesis of chloro substituted benzyl alcohols was written by Saharan, Ritu. And the article was included in Journal of the Indian Chemical Society in 2022.Category: alcohols-buliding-blocks This article mentions the following:

A green and sustainable approach for synthesis of chloro substituted benzyl alcs. has been established. In present research paper cyclic voltammetry study followed by constant current electrolysis and characterization of synthesized 2-chlorobenzyl alc., 3-chlorobenzyl alc., 4-chlorobenzyl alc. and 2,4-dichlorobenzyl alc. has been reported. Cyclic voltammetry measurements have been employed to setup optimum conditions for electrolysis and to find out electrochem. nature of various Chloro substituted benzaldehydes. Then these results have been judiciary used to carry out electrochem. reduction of various chloro substituted benzaldehydes using constant current electrolysis. Influence of scan rate and pH on reduction peaks has also been investigated referring irreversible electron transfer phenomenon in basic medium. The kinetic parameters for reduction reactions have been estimated showing the process under the influence of diffusion control. This has a scientific achievement in terms of the obtained products and their derivatives which are industrially and pharmaceutically significant chems. owing to their huge applications in petrochem. industries and medical sectors. Throat lozenges containing dichlorobenzyl alc. (DCBA) are used for treatment of respiratory tract infections. In the experiment, the researchers used many compounds, for example, (4-Chlorophenyl)methanol (cas: 873-76-7Category: alcohols-buliding-blocks).

(4-Chlorophenyl)methanol (cas: 873-76-7) 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. 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.Category: alcohols-buliding-blocks

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Flexible UV Exposure Sensor Based on UV Responsive Polymer was written by Lee, Michele E.;Armani, Andrea M.. And the article was included in ACS Sensors in 2016.Recommanded Product: 3-(Hydroxymethyl)-4-nitrophenol This article mentions the following:

One critical challenge facing society is balancing the pos. and neg. effects of UV exposure. While UV exposure contributes to Vitamin D production, in excess, UV exposure is linked to skin cancer. Therefore, methods to monitor UV exposure and help society achieve this delicate balance have been the focus of numerous research efforts. Here, we leverage advances in functional materials to create a wearable UV light sensor. The flexible, lightweight trilayer sensor, which is composed of a UV responsive polymer layer sandwiched between two transparent protective layers made from FDA-approved polymers, changes color from transparent to yellow upon UV exposure. Notably, the entire trilayer system is less than 250mm thick, allowing it to maintain mech. flexibility. The UV responsive material leverages the photocleavable ortho-nitrobenzyl (ONB) moiety. Because a singular ONB cleaving group is centrally located along the polymer backbone, the colorimetric response is very controlled. Using an AM1.5 solar simulator, the sensor’s linear working range is demonstrated to cover the medically relevant range of 15 min to 1 h. Addnl., we determine the sensor’s robustness to potential environmental and mech. stress as well as long-term storage. After mech. bending and water immersion, the performance is unchanged. Storage in ambient conditions also does not degrade the behavior. When combined with sunscreen, the sensor’s response is predictably decreased due to the attenuation of the UV light. This flexible colorimetric sensor based on a smart polymer system can greatly aid society in achieving a balance in sufficient UV exposure. In the experiment, the researchers used many compounds, for example, 3-(Hydroxymethyl)-4-nitrophenol (cas: 60463-12-9Recommanded Product: 3-(Hydroxymethyl)-4-nitrophenol).

3-(Hydroxymethyl)-4-nitrophenol (cas: 60463-12-9) belongs to alcohols. Because alcohols are easily synthesized and easily transformed into other compounds, they serve as important intermediates in organic synthesis. The most common reactions of alcohols can be classified as oxidation, dehydration, substitution, esterification, and reactions of alkoxides.Recommanded Product: 3-(Hydroxymethyl)-4-nitrophenol

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Stereoselective ketone reduction by a carbonyl reductase from Sporobolomyces salmonicolor. Substrate specificity, enantioselectivity and enzyme-substrate docking studies was written by Zhu, Dunming;Yang, Yan;Buynak, John D.;Hua, Ling. And the article was included in Organic & Biomolecular Chemistry in 2006.Computed Properties of C8H9ClO This article mentions the following:

In our effort to search for effective carbonyl reductases, the activity and enantioselectivity of a carbonyl reductase from Sporobolomyces salmonicolor have been evaluated toward the reduction of a variety of ketones. This carbonyl reductase (SSCR) reduces a broad spectrum of ketones including aliphatic and aromatic ketones, as well as α- and β-ketoesters. Among these substrates, SSCR shows highest activity for the reduction of α-ketoesters. Aromatic α-ketoesters are reduced to (S)-α-hydroxy esters, while (R)-enantiomers are obtained from the reduction of aliphatic counterparts. This interesting observation is consistent with enzyme-substrate docking studies, which show that hydride transfer occurs at the different faces of carbonyl group for aromatic and aliphatic α-ketoesters. It is worthy to note that sterically bulky ketone substrates, such as 2′-methoxyacetophenone, 1-adamantyl Me ketone, Et 4,4-dimethyl-3-oxopentanoate and Et 3,3-dimethyl-2-oxobutanoate, are reduced to the corresponding alcs. with excellent optical purity. Thus, SSCR possesses an unusually broad substrate specificity and is especially useful for the reduction of ketones with sterically bulky substituents. In the experiment, the researchers used many compounds, for example, (R)-1-(3-Chlorophenyl)ethanol (cas: 120121-01-9Computed Properties of C8H9ClO).

(R)-1-(3-Chlorophenyl)ethanol (cas: 120121-01-9) 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.Computed Properties of C8H9ClO

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Spatially resolved metabolomics reveals variety-specific metabolic changes in banana pulp during postharvest senescence was written by Yin, Zhibin;Dong, Tao;Huang, Wenjie;Du, Mingyi;Chen, Dong;Fernie, Alisdair R.;Yi, Ganjun;Yan, Shijuan. And the article was included in Food Chemistry: X in 2022.Application In Synthesis of (2R,3S)-rel-Butane-1,2,3,4-tetraol This article mentions the following:

Banana is one of most popular fruits globally due to health-promoting and disease-preventing effects, yet little is known about in situ metabolic changes across banana varieties. Here, we integrated gold nanoparticle (AuNP)-assisted laser desorption/ionization mass spectrometry imaging (LDI-MSI) and metabolomics to investigate the spatiotemporal distribution and levels of metabolites within Brazil and Dongguan banana pulps during postharvest senescence. Metabolomics results indicated that both postripening stages and banana varieties contribute to metabolite levels. Benefiting from improved ionization efficiency of small-mol. metabolites and less peak interference, we visualized the spatiotemporal distribution of sugars, amino acids (AAs) and monoamines within pulps using AuNP-assisted LDI-MSI for the first time, revealing that AAs and monoamines exclusively accumulated in the middle region near the seed zone. Monosaccharides and di/trisaccharides were generally distributed across entire pulps but exhibited different accumulation patterns. These findings provide a guide for breeding new varieties and improving extraction efficiency of bioactive compounds 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. 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.Application In Synthesis of (2R,3S)-rel-Butane-1,2,3,4-tetraol

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Synthesis of chiral α-benzyl-β²-hydroxy carboxylic acids through iridium-catalyzed asymmetric hydrogenation of α-oxymethylcinnamic acids was written by Li, Ze-Yu;Song, Song;Zhu, Shou-Fei;Guo, Na;Wang, Li-Xin;Zhou, Qi-Lin. And the article was included in Chinese Journal of Chemistry in 2014.Category: alcohols-buliding-blocks This article mentions the following:

An asym. hydrogenation of α-oxymethylcinnamic acids was developed by using chiral spiro phosphine-oxazoline/iridium complexes as catalysts to prepare β²-hydroxycarboxylic acids I [R = C₆H₅, 3,5-(OCH₃)₂C₆H₃, C₆H₄CH₂, etc.; Ar = C₆H₅, 3,4-(OCH₂O)C₆H₃, 3-H₃CO-4-C₆H₅CH₂O-C₆H₃, etc.] with high reactivity (TON up to 2000) and excellent enantioselectivity (up to 99.5% ee) under mild conditions. By using this highly efficient asym. hydrogenation as a key step, a concise enantioselective total synthesis of natural product homoisoflavone II was accomplished in 7 steps with 59% overall yield. In the experiment, the researchers used many compounds, for example, Benzo[d][1,3]dioxol-4-ol (cas: 69393-72-2Category: alcohols-buliding-blocks).

Benzo[d][1,3]dioxol-4-ol (cas: 69393-72-2) 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.Category: alcohols-buliding-blocks

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts