Month: October 2022

Application of 80-46-6In 2020, Furdikova, Katarina;Machynakova, Andrea;Drtilova, Tereza;Spanik, Ivan published 《Comparison of different categories of Slovak Tokaj wines in terms of profiles of volatile organic compounds》. 《Molecules》published the findings. The article contains the following contents:

The present work deals with the characterization of volatile organic compounds in wines from the Slovak Tokaj wine region. Studied wine samples were divided into 3 groups-varietal wines from registered Tokaj vine varieties, film wines Tokajske samorodne dry, and naturally sweet botrytized wines Tokaj selections. The VOCs from wines were extracted using optimized solid phase microextraction and analyzed by comprehensive two-dimensional gas chromatog. coupled to high-resolution time-of-flight mass spectrometry (HRTOF-MS). In total, 176 VOCs were identified in all 46 studied samples. It was found that the total number of VOCs in varietal wines was generally higher than in botrytized wines. All three studied categories showed characteristic VOC profiles with significant differences. Varietal wines were characterized by higher concentrations of esters and terpenoids originating from grapes. The presence of γ-octalactone, (E)-6-methylhept-2-en-4-one, and lack of benzaldehyde were typical for Tokajske samorodne dry. Tokaj selections expressed the highest concentration of di-Et malate, benzaldehyde, and furfurals. Several interesting trends were also observed The concentration of fermentation products was highest in varietal wines, while long-term matured Tokaj special wines were typified by the presence of compounds related to noble-rotten raisins (2-phenylacetaldehyde, Et 2-phenylacetate, and 2-phenylethanol), wood (cis-whisky lactone), and aging (1,1,6-trimethyl-2H-naphthalene, furfural, and 5-methylfurfural). The experimental procedure involved many compounds, such as 4-tert-Amylphenol (cas: 80-46-6) .

4-tert-acylphenol (cas:80-46-6) contains hydroxyl group.Some low molecular weight alcohols of industrial importance are produced by the addition of water to alkenes. Ethanol, isopropanol, 2-butanol, and tert-butanol are produced by this general method. Application of 80-46-6

Reference:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Wang, Daoyong;Shuler, William G.;Pierce, Conor J.;Hilinski, Michael K. published 《An Iminium Salt Organocatalyst for Selective Aliphatic C-H Hydroxylation》 in 2016. The article was appeared in 《Organic Letters》. They have made some progress in their research.Safety of 3,7-Dimethyloctan-3-ol The article mentions the following:

The first examples of catalysis of aliphatic C-H hydroxylation by an iminium salt are presented. The method allows the selective organocatalytic hydroxylation of unactivated 3° C-H bonds at room temperature using hydrogen peroxide as the terminal oxidant. Hydroxylation of an unactivated 2° C-H bond is also demonstrated. Furthermore, improved functional group compatibility over other catalytic methods is reported in the form of selectivity for aliphatic C-H hydroxylation over alc. oxidation On the basis of initial mechanistic studies, an oxaziridinium species is proposed as the active oxidant. To complete the study, the researchers used 3,7-Dimethyloctan-3-ol (cas: 78-69-3) .

3,7-Dimethyloctan-3-ol(cas:78-69-3) is a fatty alcohol that is 3-octanol substituted by methyl groups at positions 3 and 7.Safety of 3,7-Dimethyloctan-3-ol Metabolite observed in cancer metabolism. It has a role as a human metabolite.

Reference:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Zhou, Feng;Hu, Xiaoying;Gao, Ming;Cheng, Tanyu;Liu, Guohua published 《An imidazolium-modified chiral rhodium/diamine-functionalized periodic mesoporous organosilica for asymmetric transfer hydrogenation of α-haloketones and benzils in aqueous medium》. The research results were published in《Green Chemistry》 in 2016.Application In Synthesis of rel-(1R,2S)-1,2-Diphenylethane-1,2-diol The article conveys some information:

The use of a hydrophobic, imidazolium-functionalized periodic mesoporous organosilica for immobilization of chiral organometallic complexes as a heterogeneous catalyst is highly desirable as this catalyst can greatly promote an aqueous organic transformation due to its hydrophobic function and phase-transfer feature in an aqueous medium. Herein, by utilizing a three-component co-condensation strategy, we conveniently incorporate 1,2-bis(triethoxysilyl)ethane, (R,R)-4-((trimethoxysilyl)ethyl)phenylsulfonyl-1,2-diphenylethylene-diamine and 1,3-bis(3-(triethoxysilyl)propyl)-1H-imidazol-3-ium iodide within its silicate network, which is coordinated with (Cp*RhCl₂)₂, leading to an imidazolium-modified chiral rhodium/diamine-functionalized periodic mesoporous organosilica. A solid-state carbon spectrum discloses its well-defined chiral rhodium/diamine active species, and its X-ray diffraction; nitrogen adsorption-desorption measurement and transmission electron microscopy images reveal its ordered dimensional-hexagonal mesostructure. As a bifunctional heterogeneous catalyst, this periodic mesoporous organosilica significantly boosts asym. transfer hydrogenation of α-haloketones and benzils in water, where the hydrophobic periodic mesoporous organosilica, phase-transfer-featured imidazolium-functionality, and the confined chiral organorhodium catalytic nature are responsible for its catalytic performance. Furthermore, the catalyst can be recovered and recycled seven times without the loss of its catalytic activity, making it an attractive heterogeneous catalyst for asym. transfer hydrogenation in an environmentally friendly manner. To complete the study, the researchers used rel-(1R,2S)-1,2-Diphenylethane-1,2-diol (cas: 579-43-1) .

Desymmetrization of rel-(1R,2S)-1,2-Diphenylethane-1,2-diol(cas:579-43-1 Application In Synthesis of rel-(1R,2S)-1,2-Diphenylethane-1,2-diol) using chiral phosphine catalyst has been reported. Conversion of meso-hydrobenzoin to trans-stillbene oxide by treatment with an aryl sulfonyl chloride and aqueous sodium hydroxide has been reported.

Reference:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Kang, Jian;Liu, Junjie;Pei, Jingjing published 《The indoor volatile organic compounds (VOCs) characteristics and source identification in a new university campus in Tianjin, China》. The research results were published in《Journal of the Air & Waste Management Association》 in 2017.Name: 4-tert-Amylphenol The article conveys some information:

This study investigates the volatile organic compounds (VOCs) constituents and concentration levels on a new university campus, where all of the buildings including classrooms and student dormitories were newly built and decorated within 1 yr. Investigated indoor environments include dormitories, classrooms, and the library. About 30 dormitory buildings with different furniture loading ratios were measured. The characteristics of the indoor VOCs species are analyzed and possible sources are identified. The VOCs were analyzed with gas chromatog.-mass spectroscopy (GC-MS). It was found that the average total VOC (TVOC) concentration can reach 2.44 mg/m³. Alkenes were the most abundant VOCs in dormitory rooms, contributing up to 86.5% of the total VOCs concentration The concentration of α-pinene is the highest among the alkenes. Unlike the dormitory rooms, there is almost no room with TVOC concentration above 0.6 mg/m³ in classroom and library buildings. Formaldehyde concentration in the dormitory rooms increased about 23.7% after the installation of furniture, and the highest level reached 0.068 mg/m³. Ammonia released from the building antifreeze material results in an average indoor concentration of 0.28 mg/m³, which is 100% over the threshold and should be seriously considered. Further experiments were conducted to analyze the source of the α-pinene and some alkanes in dormitory rooms. The results showed that the α-pinene mainly comes from the bed boards, while the wardrobes are the main sources of alkanes. The contribution of the pinewood bed boards to the α-pinene and TVOC concentration can reach up to above 90%. The same type rooms were sampled 1 yr later and the decay rate of α-pinene is quite high, close to 100%, so that it almost cannot be detected in the sampled rooms. Implications: Anal. of indoor volatile organic compounds (VOCs) in newly built campus buildings in China identified the specific constituents of indoor VOCs contaminants exposed to Chinese college students. The main detected substances α-pinene, β-pinene, and 3-carene originated from solid wood bed boards and should be seriously considered. In addition, the contribution rates of building structure materials and furniture to specific VOCs constituents are quant. calculated Also, the decay rates of these specific constituents within 1 yr are also quant. calculated in this paper. This study can help us to better understand the sources and concentration levels of VOC contaminants in campus buildings, and to help select appropriate materials in buildings. And 4-tert-Amylphenol (cas: 80-46-6) was used in the research process.

4-tert-acylphenol (cas:80-46-6) contains hydroxyl group. Owing to the presence of the polar OH alcohols are more water-soluble than simple hydrocarbons. Methanol, ethanol, and propanol are miscible in water. Butanol, with a four-carbon chain, is moderately soluble.Name: 4-tert-Amylphenol

Reference:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Product Details of 110-03-2《Zn-Mediated Hydrodeoxygenation of Tertiary Alkyl Oxalates》 was published in 2021. The authors were Ye, Yang;Ma, Guobin;Yao, Ken;Gong, Hegui, and the article was included in《Synlett》. The author mentioned the following in the article:

A general, mild, and scalable method for hydrodeoxygenation of readily accessible tertiary alkyl oxalates by Zn/silane under Ni-catalyzed conditions was described. The reduction method was suitable for an array of structural motifs derived from tertiary alcs. that beared diverse functional groups, included the synthesis of a key intermediate en route to estrone. The experimental procedure involved many compounds, such as 2,5-Dimethyl-2,5-hexanediol (cas: 110-03-2) .

2,5-Dimethyl-2,5-hexanediol(cas:110-03-2) on heteropoly acid catalyzed dehydration yields cyclic ethers via stereospecific intramolecular SN2 mechanism. It reacts with nitriles in concentrated sulfuric acid to yield Δ1-pyrrolines.Product Details of 110-03-2

Reference:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Geng, Hui-Qing;Wu, Xiao-Feng published 《Copper-Catalyzed Alkoxycarbonylation of Alkyl Iodides for the Synthesis of Aliphatic Esters: Hydrogen Makes the Difference》 in 2021. The article was appeared in 《Organic Letters》. They have made some progress in their research.Formula: C15H16O The article mentions the following:

A copper-catalyzed alkoxycarbonylation transformation of unactivated alkyl iodides was developed. Various alkyl iodides were converted into the corresponding tert-Bu esters in good yields. NaOt-Bu acts as both a nucleophile and a base. Moreover, other types of aliphatic esters was also be obtained in moderated yields if extra alcs. are added. Both primary and secondary alkyl alcs. can react successfully.4-(2-Phenylpropan-2-yl)phenol (cas: 599-64-4) were involved in the experimental procedure.

4-(2-Phenylpropan-2-yl)phenol(cas:599-64-4) is a natural product found in Panax ginseng.Formula: C15H16O 4-(2-Phenylpropan-2-yl)phenol is a useful reagent for preparing and characterizing aromatic polyphosphonates as high refractive index polymers.

Reference:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Wikoff, William R.;Nagle, Megha A.;Kouznetsova, Valentina L.;Tsigelny, Igor F.;Nigam, Sanjay K. published 《Untargeted Metabolomics Identifies Enterobiome Metabolites and Putative Uremic Toxins as Substrates of Organic Anion Transporter 1 (Oat1)》. The research results were published in《Journal of Proteome Research》 in 2011.Safety of 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride The article conveys some information:

Untargeted metabolomics on the plasma and urine from wild-type and organic anion transporter-1 (Oat1/Slc22a6) knockout mice identified a number of physiol. important metabolites, including several not previously linked to Oat1-mediated transport. Several, such as indoxyl sulfate, derive from Phase II metabolism of enteric gut precursors and accumulate in chronic kidney disease (CKD). Other compounds included vitamins (pantothenic acid, 4-pyridoxic acid), urate, and metabolites in the tryptophan and nucleoside pathways. Three metabolites, indoxyl sulfate, kynurenine, and xanthurenic acid, were elevated in the plasma and interacted strongly and directly with Oat1 in vitro with IC50 of 18, 12, and 50 μM, resp. A pharmacophore model based on several identified Oat1 substrates was used to screen the NCI database and candidate compounds interacting with Oat1 were validated in an in vitro assay. Together, the data suggest a complex, previously unidentified remote communication between the gut microbiome, Phase II metabolism in the liver, and elimination via Oats of the kidney, as well as indicating the importance of Oat1 in the handling of endogenous toxins associated with renal failure and uremia. The possibility that some of the compounds identified may be part of a larger remote sensing and signaling pathway is also discussed. The experimental procedure involved many compounds, such as 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride (cas: 148-51-6) .

5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride(cas:148-51-6 Safety of 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride) is a strong antagonist of vitamin B6. Deoxypyridoxine hydrochloride has been used as an analytical reference standard for the quantification of the analyte in food samples using high performance liquid chromatography.

Reference:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Matamoros, Victor;Rendon-Mera, Alicia Maria;Pina, Benjami;Tadic, Djordje;Canameras, Nuria;Carazo, Nuria;Bayona, J. M. published 《Metabolomic and phenotypic implications of the application of fertilization products containing microcontaminants in lettuce (Lactuca sativa)》 in 2021. The article was appeared in 《Scientific Reports》. They have made some progress in their research.Category: alcohols-buliding-blocks The article mentions the following:

Cultivation practice using organic amendments is plausible to ensure global food security. However, plant abiotic stress due to the presence of metals and organic microcontaminants (OMCs) in fertilization products cannot be overlooked. In this study, we monitored lettuce metabolism and phenotypic response following the application of either sewage sludge (SS), the organic fraction of municipal solid waste, swine manure (SM), chem. fertilizers (CF), or no amendment (C) in a greenhouse facility. The exptl. set-up consisted of five treatments with five replicates (25 exptl. units randomly distributed). All fertilizers were supplied at the equivalent agronomic total nitrogen dose, but the occurrence of trace metals and/or OMCs was greater in the SS and SM than the rest. Non-target metabolomic anal. (high-resolution mass spectrometry coupled with partial least squares regression) identified more than 300 plant metabolites (amino acids, organic acids, sugar alcs., and sugars), 55 of which showed significant changes in their relative abundances depending on the type of amendment. Functional anal. indicated that the use of CF or SS increased the levels of metabolites involved in carbohydrate and nitrogen metabolism Therefore, although SS and SM fertilizers had a greater presence of heavy metals and/or OMCs, our results indicate that they did not induce measurable adverse effects in the lettuce phenotype or metabolism Metabolic changes between fertilizers (CF and SS vs. C and SM) were mainly due to nitrogen availability. To complete the study, the researchers used 3,7-Dimethyloctan-3-ol (cas: 78-69-3) .

3,7-Dimethyloctan-3-ol(cas:78-69-3) is a fatty alcohol that is 3-octanol substituted by methyl groups at positions 3 and 7.Category: alcohols-buliding-blocks Metabolite observed in cancer metabolism. It has a role as a human metabolite.

Reference:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

SDS of cas: 140-66-9《Chemical Characterization of Recycled Consumer Products Using Suspect Screening Analysis》 was published in 2021. The authors were Lowe, Charles N.;Phillips, Katherine A.;Favela, Kristin A.;Yau, Alice Y.;Wambaugh, John F.;Sobus, Jon R.;Williams, Antony J.;Pfirrman, Ashley J.;Isaacs, Kristin K., and the article was included in《Environmental Science & Technology》. The author mentioned the following in the article:

Recycled materials are found in many consumer products as part of a circular economy; however, the chem. content of recycled products is generally uncharacterized. A suspect screening anal. using two-dimensional gas chromatog. time-of-flight mass spectrometry (GC x GC-TOFMS) was applied to 210 products (154 recycled, 56 virgin) across seven categories. Chems. in products were tentatively identified using a standard spectral library or confirmed using chem. standards A total of 918 probable chem. structures identified (112 of which were confirmed) in recycled materials vs. 587 (110 confirmed) in virgin materials. Identified chems. were characterized in terms of their functional use and structural class. Recycled paper products and construction materials contained greater numbers of chems. than virgin products; 733 identified chems. had greater occurrence in recycled compared to virgin materials. Products made from recycled materials contained greater numbers of fragrances, flame retardants, solvents, biocides, and dyes. The results were clustered to identify groups of chems. potentially associated with unique chem. sources, and identified chems. were prioritized for further study using high-throughput hazard and exposure information. While occurrence is not necessarily indicative of risk, these results can be used to inform the expansion of existing models or identify exposure pathways currently neglected in exposure assessments. And 4-tert-Octylphenol (cas: 140-66-9) was used in the research process.

4-tert-Octylphenol(cas: 140-66-9) has been used as a reference standard for the determination of the analyte in water samples using ultra-high-performance liquid chromatography/tandem mass spectrometry (UHPLC/MS/MS).SDS of cas: 140-66-9

Reference:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Safety of rel-(1R,2S)-1,2-Diphenylethane-1,2-diol《Aerobic oxidation of alcohols with air catalyzed by decacarbonyldimanganese》 was published in 2019. The authors were Meng, Shan-Shui;Lin, Li-Rong;Luo, Xiang;Lv, Hao-Jun;Zhao, Jun-Ling;Chan, Albert S. C., and the article was included in《Green Chemistry》. The author mentioned the following in the article:

The oxidation of alcs. to carbonyl compounds using air as the terminal oxidant is highly desirable. As described in previous reports, the abstraction of α-H of the alc. is the most important step, and it typically requires not only a metal catalyst but also complex ligands, co-catalysts and bases. Herein, we report a practical and efficient method for the oxidation of primary alcs., secondary alcs., 1,2-diols, 1,2-amino alcs., and other α-functionalized alcs. using a com. available catalyst, Mn₂(CO)₁₀, and no additives. Preliminary mechanistic studies indicated that an alkoxyl radical intermediate existed in our system, and a plausible mechanism consistent with the exptl. results and literature was proposed.rel-(1R,2S)-1,2-Diphenylethane-1,2-diol (cas: 579-43-1) were involved in the experimental procedure.

Desymmetrization of rel-(1R,2S)-1,2-Diphenylethane-1,2-diol(cas:579-43-1 Safety of rel-(1R,2S)-1,2-Diphenylethane-1,2-diol) using chiral phosphine catalyst has been reported. Conversion of meso-hydrobenzoin to trans-stillbene oxide by treatment with an aryl sulfonyl chloride and aqueous sodium hydroxide has been reported.

Reference:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts