Month: September 2022

Name: 2,2-Methylenebis(6-tert-butyl-p-cresol)In 2021, Olker, Jennifer H.;Korte, Joseph J.;Denny, Jeffrey S.;Haselman, Jonathan T.;Hartig, Phillip C.;Cardon, Mary C.;Hornung, Michael W.;Degitz, Sigmund J. published 《In vitro screening for chemical inhibition of the iodide recycling enzyme, iodotyrosine deiodinase》. 《Toxicology In Vitro》published the findings. The article contains the following contents:

The iodide recycling enzyme, iodotyrosine deiodinase (IYD), is a largely unstudied mol. mechanism through which environmental chems. can potentially cause thyroid disruption. This highly conserved enzyme plays an essential role in maintaining adequate levels of free iodide for thyroid hormone synthesis. Thyroid disruption following in vivo IYD inhibition has been documented in mammalian and amphibian models; however, few chems. have been tested for IYD inhibition in either in vivo or in vitro assays. Presented here are the development and application of a screening assay to assess susceptibility of IYD to chem. inhibition. With recombinant human IYD enzyme, a 96-well plate in vitro assay was developed and then used to screen over 1800 unique substances from the U. S. EPA ToxCast screening library. Through a tiered screening approach, 194 IYD inhibitors were identified (inhibited IYD enzyme activity by 20% or greater at target concentration of 200μM). 154 chems. were further tested in concentration-response (0.032-200μM) to determine IC50 and rank-order potency. This work broadens the coverage of thyroid-relevant mol. targets for chem. screening, provides the largest set of chems. tested for IYD inhibition, and aids in prioritizing chems. for targeted in vivo testing to evaluate thyroid-related adverse outcomes. The experimental procedure involved many compounds, such as 2,2-Methylenebis(6-tert-butyl-p-cresol) (cas: 119-47-1) .

Name: 2,2-Methylenebis(6-tert-butyl-p-cresol)2,2′-Methylenebis(4-methyl-6-tert-butylphenol)(CAS: 119-47-1) is a natural product found in Streptomyces and Aspergillus fumigatus .

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HPLC of Formula: 2425-77-6《Polymeric ionic liquid absorbents for n-butanol recovery from aqueous solution》 was published in 2022. The authors were Biro, Robert;Daugulis, Andrew J.;Parent, J. Scott, and the article was included in《AIChE Journal》. The author mentioned the following in the article:

A wide-ranging study of imidazolium-based polymeric ionic liquids (PILs) as absorbents in two-phase partitioning bioreactor applications is presented, with a particular focus on the removal of n-butanol from dilute aqueous solutions The study begins with a description of the synthesis and phase transition temperatures of poly(1-vinyl-3-alkylimidazolium) bromides bearing alkyl groups of different lengths, architecture, and composition, as well as analogs bearing various inorganic and carboxylate anions. Knowledge of polymer structure is used to generate insight into the solute affinity of each PIL, as quantified by the measurements of n-butanol partition coefficient (PC_BuOH) and n-butanol/water selectivity (α_b/w). These equilibrium experiments are extended to create a complete P[(VC_12-linIm)(Br)]/n-BuOH/water ternary phase diagram that is used to propose a streamlined n-butanol recovery process. The experimental procedure involved many compounds, such as 2-Hexyl-1-decanol (cas: 2425-77-6) .

2-Hexyl-1-decanol(cas: 2425-77-6) is a branched alcohol. It is one of the constituent of the essential oil, extracted from the roots of Adiantum flabellulatum. HPLC of Formula: 2425-77-6

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Cozzolino, Rosaria;De Giulio, Beatrice;Marena, Pasquale;Martignetti, Antonella;Gunther, Kathrin;Lauria, Fabio;Russo, Paola;Stocchero, Matteo;Siani, Alfonso published 《Urinary volatile organic compounds in overweight compared to normal-weight children: results from the Italian I.Family cohort》 in 2017. The article was appeared in 《Scientific Reports》. They have made some progress in their research.Recommanded Product: 78-69-3 The article mentions the following:

Accumulating evidence shows that urinary volatile organic compounds (VOCs) could be perturbed in many physiol. and pathol. states, including several diseases and different dietary exposures. Few studies investigated the urinary metabolic signature associated to excess body weight and obesity in adult populations, while a different VOCs profile was found in exhaled breath in obese as compared to lean children. Aim of this study was to evaluate the VOCs profile in the urine of 21 overweight/obese (OW/Ob) and 28 normal-weight (NW) children belonging to the Italian cohort of the I. Family study. Urine samples were analyzed by Solid Phase Micro-Extraction (SPME) GC-MS under both acidic and alk. conditions, in order to profile a wider range of urinary volatiles with different physicochem. properties. Multivariate statistics techniques were applied to bioanal. data to visualize clusters of cases and detect the VOCs able to differentiate OW/Ob from NW children. Under alk. conditions, fourteen VOCs were identified, distinguishing OW/Ob from NW children. Our results suggest that VOCs signatures differ between OW/Ob and NW children. However, the biol. and pathophysiol. meaning of the observed differences needs to be elucidated, in order to better understand the potential of urinary VOCs as early metabolic biomarkers of obesity. The experimental procedure involved many compounds, such as 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.Recommanded Product: 78-69-3 Metabolite observed in cancer metabolism. It has a role as a human metabolite.

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Recommanded Product: 2,5-Dimethyl-2,5-hexanediol《Hydrogenation of alkynes to cis-alkenes with hydrazine in air》 was published in 2017. The authors were Wang, Jintao;Xiong, Jiukai;Li, Juanjuan;Wang, Jiali;Wang, Kerang;Li, Xiaoliu, and the article was included in《Youji Huaxue》. The author mentioned the following in the article:

In this paper, a simple approach of selectively hydrogenation of alkynes to cis-alkenes with NH₂NH₂·H₂O as a transfer hydrogenation agent in the presence of air without any catalysts or metals was developed. Furthermore, the configuration of cis-alkene was confirmed by the 2D NOESY spectrum.2,5-Dimethyl-2,5-hexanediol (cas: 110-03-2) were involved in the experimental procedure.

2,5-Dimethyl-2,5-hexanediol(cas:110-03-2) is used as an intermediate in the preparation of 2.5-Dimethyl-2.5-bis(tertbutyl-peroxy)hexane. It is also used in the synthesis of six- and seven-membered heterocyclic boron compounds.Recommanded Product: 2,5-Dimethyl-2,5-hexanediol

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Liu, Mingxin;Tan, Lida;Rashid, Roksana T.;Cen, Yunen;Cheng, Shaobo;Botton, Gianluigi;Mi, Zetian;Li, Chao-Jun published 《GaN nanowires as a reusable photoredox catalyst for radical coupling of carbonyl under blacklight irradiation》 in 2020. The article was appeared in 《Chemical Science》. They have made some progress in their research.Synthetic Route of C14H14O2 The article mentions the following:

Using the carbonyl coupling reaction as a proof-of-concept, herein, a photo-pinacol coupling reaction of various ketones R¹C(O)R² (R¹ = Me, Ph, 3-phenoxypropyl, etc.; R² = H, Me, n-Pr, Ph, etc.) and 3-methoxy-Estra-1,3,5(10)-trien-17-one catalyzed by GaN nanowires under ambient light at room temperature with methanol as a solvent and sacrificial reagent was reported. By simply tuning the dopant, the GaN nanowire shows significantly enhanced electronic properties. The catalyst showed excellent stability, reusability and functional tolerance. All reactions could be accomplished with a single piece of nanowire on Si-wafer. The experimental procedure involved many compounds, such as rel-(1R,2S)-1,2-Diphenylethane-1,2-diol (cas: 579-43-1) .

rel-(1R,2S)-1,2-Diphenylethane-1,2-diol(cas: 579-43-1 Synthetic Route of C14H14O2) has been used in the preparation of trans-methyl meso-hydrobenzoin phosphite.

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Related Products of 148-51-6《Effects of alterations in the metabolism of γ-aminobutyrate on convulsant potencies》 was published in 1977. The authors were Stone, William E., and the article was included in《Epilepsia》. The author mentioned the following in the article:

Drugs that alter γ-aminobutyrate (GABA) [56-12-2] metabolism and presumably affect the availability of GABA in synaptic regions were tested for their relative effects on the potencies of 4 convulsants: 3-mercaptopropionate (3-MP) [107-96-0], pentamethylenetetrazole (PTZ) [54-95-5], bicuculline [485-49-4], and picrotoxin [124-87-8] in mice. Aminooxyacetic acid hemichloride [2921-14-4] given prior to the convulsant tended to decrease the potency of 3-MP more than that of PTZ. It decreased the potency of bicuculline more than that of PTZ but less than that of 3-MP, and did not alter that of picrotoxin. Thiocarbohydrazide (TCH) [2231-57-4], DL–C-allylglycine [7685-44-1], and 4-deoxypyridoxine-HCl (DOP) [148-51-6] tended to potentiate 3-MP more than PTZ. The effects of allylglycine on bicuculline and picrotoxin were intermediate. DOP potentiated bicuculline and picrotoxin only to the extent that it potentiated PTZ. TCH resembled DOP in its effect on bicuculline. Valproic acid [99-66-1] decreased the potency of each convulsant; it was most effective against PTZ, slightly less so against 3-MP, and still less effective against bicuculline and picrotoxin. Its anticonvulsive action probably is not primarily via the GABA system. Phenelzine [51-71-8] slightly decreased the potency of bicuculline, but potentiated 3-MP and picrotoxin and did not affect the potency of PTZ. Diacetyl monoxime [57-71-6] was anticonvulsive against PTZ, bicuculline, and picrotoxin, but not against 3-MP. The results do not support the view that bicuculline and picrotoxin induce seizures by blocking GABA-mediated inhibition. 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 Related Products of 148-51-6) 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.

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Today I want to share an article with you. The article is 《Analysis of Vapor Pressures Using Family Variations: A Case Study of Hexadecanol Isomers》,you can find this article in 《Industrial & Engineering Chemistry Research》. The following contents are mentioned:

Vapor pressure is one of the most important properties needed when designing chem. processes. Exptl. data are preferred; however, predictive methods must be used when data are not available. Even when exptl. data are available, they are often sparse, and the quality needs to be evaluated. In this work, we have used the isomers of hexadecanol (C₁₆H₃₄O) for a vapor-pressure case study, and a database of 33 isomers has been collected. All the isomers are saturated alcs., and the variation in vapor pressure arises from the placement of the alc. (-OH) group and the extent of branching. The recently published modified Trouton method has been used to analyze and evaluate the available data, and a reliable set of b.ps. at the representative vapor pressure of 2 kPa has been developed for the 33 compounds in the study; further, the uncertainty in the 2 kPa b.ps. has been estimated The database used was evaluated to gain insight into the trends of the vapor pressures. Next, three representative approaches were used to test the ability of estimation methods to predict and correlate the data: (1) the Nannoolal group-contribution method; (2) the COSMO-RS quantum-chem. method; and (3) an empirical method based upon structural factors. The study has revealed the nature and extent of vapor-pressure variation with this family of isomers and the ability of existing estimation methods to provide reliable and accurate correlations. The database developed here may also be helpful for related studies, for example, the use of mol. simulation to predict the vapor pressures.2-Hexyl-1-decanol (cas: 2425-77-6) were involved in the experimental procedure.

2-Hexyl-1-decanol(cas: 2425-77-6) is a fatty acid that is found in the essential oils of plants and has been shown to have fungicidal properties.COA of Formula: C16H34O It has also been shown to inhibit the growth of Candida glabrata when used as a cationic surfactant.

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Category: alcohols-buliding-blocksIn 2022, Li, Yong-Qing;Wang, Luo-Yi;Wang, Quan-chao;Hu, Yu-Cai;Ci, Yu-Chen;Cao, Yu-Cai published 《Synthesis and characterization of new benzyl-protected 2-iodo-4-tert-octylphenol and its application in preparation of 1-benzyloxy-2-(3,6-di-tert-butyl-9H-carbazolyl)-4-tert-octylbenzene》. 《Chemical Papers》published the findings. The article contains the following contents:

1-Benzyloxy-2-iodo-4-tert-octylbenzene was synthesized with new methods from 4-tert-octylphenol via bromination, benzyl protection and halogen exchange reaction. Improved yield and easy purification benefit this method. The effects of solvents and ligands in halogen exchange reaction were studied in detail. The synthesized 1-benzyloxy-2-iodo-4-tert-octylbenzene was further examined for its application in Ullmann coupling reaction for preparation of 1-benzyloxy-2-(3,6-di-tert-butyl-9H-carbazolyl)-4-tert-octylbenzene. These newly synthesized compounds were characterized by IR, GC, ¹H NMR, ¹³C NMR, GC-MS and HRMS. 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).Category: alcohols-buliding-blocks

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Name: 2,5-Dimethyl-2,5-hexanediolIn 2020, Maekawa, Hiroyuki;Kudo, Hiroto;Watanabe, Takeo;Yamamoto, Hiroki;Okamoto, Kazumasa;Kozawa, Takahiro published 《Higher sensitive extreme ultraviolet (euv) resist materials derived from p-t-butylcalix[n]arenes (n = 4 and 8)》. 《Journal of Photopolymer Science and Technology》published the findings. The article contains the following contents:

We examined the synthesis, phys. properties, and resist properties of the various polymers and an oligomer containing fixed hole derived from calixarenes. By the condensation reaction of p-t-butylcalix[n]arene (n = 4 and 8) with 1,4-dichloro-2-oxabutane (DCB) and 2,5-dibromoacetyloxy-2,5-dimethylhexane (DBH), the soluble polymers poly(BCA[8]-co-DCB), poly(BCA[8]-co-DBH), and poly(BCA[4]-co-DCB), and an oligomer BCA[4]-DBH were obtained. They have good phys. properties (solubility, film-forming ability, high thermal stability), excellent thickness loss property, and good aciddeprotection reactivity upon ultra-violet (UV) irradiation The resist-sensitivity in an extreme UV (EUV) exposure tool indicated that poly(BCA[8]-co-DBH) and BCA[4]- DBH were good candidate to offer higher resolution resist pattern, i.e., E₀ = 5.0 mJ/cm² [poly(BCA[8[Bracket (R)[Bracket (R)-co-DBH and 0.8 mJ/cm² (BCA[4]-DBH). 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.Name: 2,5-Dimethyl-2,5-hexanediol

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Stock, Christian;Brueckner, Reinhard published 《Mild and High-Yielding Molybdenum(VI) Dichloride Dioxide-Catalyzed Formation of Mono-, Di-, Tri-, and Tetracarbamates from Alcohols and Aromatic or Aliphatic Isocyanates》. The research results were published in《Advanced Synthesis & Catalysis》 in 2012.Synthetic Route of C8H18O2 The article conveys some information:

Both molybdenum(VI) dichloride dioxide (MoO₂Cl₂) and its DMF (DMF) complex catalyze the addition of alcs. to isocyanates giving carbamates. Most additions proceed to completion at room temperature within 20 min using as little as 0.1 mol% of the catalyst when working on a 1-mmol scale or just 100 ppm working on a 20-mmol scale. Sterically encumbered substrates reacted to completion when 1 mol% of the catalyst was employed. Diols, triols, and tetraols reacted with monoisocyanates likewise, as did monofunctional alcs. and diisocyanates. These pairings furnished di-, tri-, tetra-, and dicarbamates, resp. Reactants, which were poorly soluble in CH₂Cl₂ at room temperature required elevating the temperature and possibly choosing a higher-boiling solvent (ClCH₂CH₂Cl, DMF) as well. Additions of diols to diisocyanates were feasible, too, giving polycarbamates as we presume.2,5-Dimethyl-2,5-hexanediol (cas: 110-03-2) were involved in the experimental procedure.

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.Synthetic Route of C8H18O2

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