Tag: 100-200

Category: alcohols-buliding-blocks《Synthesis and biological activity of novel tert-amylphenoxyalkyl (homo)piperidine derivatives as histamine H₃R ligands》 was published in 2017. The authors were Kuder, Kamil J.;Lazewska, Dorota;Kaleta, Maria;Latacz, Gniewomir;Kottke, Tim;Olejarz, Agnieszka;Karcz, Tadeusz;Fruzinski, Andrzej;Szczepanska, Katarzyna;Karolak-Wojciechowska, Janina;Stark, Holger;Kiec-Kononowicz, Katarzyna, and the article was included in《Bioorganic & Medicinal Chemistry》. The author mentioned the following in the article:

As a continuation of the authors’ search for novel histamine H₃ receptor ligands a series of twenty new tert-amyl phenoxyalkylamine derivatives (2-21) was synthesized. Compounds of four to eight carbon atoms spacer alkyl chain were evaluated on their binding properties at human histamine H₃ receptor (hH₃R). The highest affinities were observed for the pentyl derivatives (K_i = 8.8-23.4 nM range) and among them piperidine derivative 1-(5-(4-(tert-pentyl)phenoxy)pentyl)piperidine hydrogen oxalate (6) with K_i = 8.8 nM. Structures (6), 3-methyl-1-(5-(4-(tert-pentyl)phenoxy)pentyl)piperidine hydrogen oxalate (7) were also classified as antagonists in cAMP accumulation assay (with EC₅₀ = 157 and 164 nM, resp.). Moreover, new compounds were also evaluated for anticonvulsant activity in Antiepileptic Screening Program (ASP) at National Institute of Neurol. Disorders and Stroke (USA). Seven compounds showed anticonvulsant activity at maximal electroshock (MES) test in the dose of 30 mg/kg at 0.5 h. In the s.c. pentetrazole (scMET) test compound 4-methyl-1-(4-(4-(tert-pentyl)phenoxy)butyl)piperidine hydrogen oxalate (4) showed protection at 100 and 300 mg/kg dose at mice, however compounds showed high neurotoxicity in rotarod test at used doses. Also, mol. modeling studies were undertaken, to explain affinity of compounds at hH₃R (taking into the consideration x-ray anal. of compound 1-(8-(4-(tert-pentyl)phenoxy)octyl)piperidine hydrogen oxalate (18)). To estimate “drug-likeness” of selected compounds in silico and exptl. evaluation of lipophilicity, metabolic stability and cytotoxicity was performed. To complete the study, the researchers used 4-tert-Amylphenol (cas: 80-46-6) .

4-tert-acylphenol (cas:80-46-6) contains hydroxyl group. 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. Category: alcohols-buliding-blocks

Reference:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Horton, R. W.;Meldrum, B. S. published 《Preconvulsive changes in brain glucose metabolism following drugs inhibiting glutamate decarboxylase》 in 1976. The article was appeared in 《Journal of Neurochemistry》. They have made some progress in their research.Recommanded Product: 148-51-6 The article mentions the following:

DL-C-allylglycine (I) [7685-44-1], 4-deoxypyridoxine-HCl (II) [148-51-6], and DL-methionine-D-sulfoximine (III) (180, 250, and 300 mg/kg resp., i.p.) each induced preconvulsive increases in the brain glucose [50-99-7] concentration of mice at room temperature; II and III also increased brain glycogen [9005-79-2] concentrations in room-temperature mice, but only II did so in mice maintained at 33-4°. Only with I was the increase in brain glucose concentration associated with an increase in blood glucose concentration I, II, III, or isoniazid [54-85-3] (150 mg/kg) reduced rectal temperature in mice at room temperature but not those at 33-4°. Isoniazid reduced brain glucose and glycogen concentrations in mice at 33-4°, but did not affect mice at room temperature The relation between the effects of these drugs on brain carbohydrates and amino acid metabolism is discussed. To complete the study, the researchers used 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride (cas: 148-51-6) .

5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride(cas:148-51-6 Recommanded Product: 148-51-6) is a vitamin B6 antimetabolite with diverse biological activities. It inhibits transport of pyridoxine , pyridoxal, and pyridoxamine in and reduces growth of S. carlsbergensis cells. DOP inhibits sphingosine-1-phosphate (S1P) lyase and reduces cyclic stretch-induced apoptosis in alveolar epithelial MLE-12 cells.

Reference:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Bhardwaj, Nitish Rattan;Kumar, J. published 《Characterization of volatile secondary metabolites from Trichoderma asperellum》. The research results were published in《Journal of Applied and Natural Science》 in 2017.Application In Synthesis of 4-tert-Amylphenol The article conveys some information:

Many Trichoderma isolates are known to secrete several secondary metabolites with different biol. activities towards plants and other microbes. The production of such compounds varies according to the strain. In the present study, volatile secondary metabolites from the culture filtrate of Trichoderma asperellum strain were characterized using Gas chromatog.-Mass spectrometry (GC-MS). Results of GC-MS detected 43 secondary metabolites in the T. asperellum strain including many important volatile secondary metabolites such as 1,2- Benzenedicarboxylic acid, 2-butoxy-2-oxoethyl Bu ester (peak area-3.59%), 1,2-Benzenedicarboxylic acid di-Bu ester (peak area-2.02 %), 2H-Pyran-2-one (peak area-66.63 %), palmitic acid (peak area-2.86 %), several phenolic isomers, Me cyclohexane etc., all reportedly having effective pesticidal activity. The results indicated that these secondary metabolites could be useful for biol. control applications of T. asperellum strain against diverse plant pathogens. And 4-tert-Amylphenol (cas: 80-46-6) was used in the research process.

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 In Synthesis of 4-tert-Amylphenol

Reference:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Product Details of 80-46-6In 2022, Hites, Ronald A. published 《Mass Spectrometric Identification of Pollutants in the Environment: A Personal and Bibliometric Perspective》. 《Journal of the American Society for Mass Spectrometry》published the findings. The article contains the following contents:

The nontarget identification of unsuspected organic pollutants in the environment is a topic of current interest, but it is not a new idea. Our laboratory has been engaged in this work for 50 years, and thus, it is timely to ask if our nontarget identifications of pollutants has mattered. The tool used to answer this question is the citation chronologies of several sets of nontarget identification papers we have published. Our papers on polycyclic aromatic hydrocarbons (1800 citations since 1972) and on halogenated flame retardants in the Great Lakes (800 citations since 2005) have clearly led to further work on the environmental sources and fates of these compounds On the other hand, our papers on trifluoromethyl chlorobenzene derivatives in the Niagara River (170 citations since 1982) and on several alkyl phenols in the Detroit River (90 citations since 1991) have not led to further work. The attention that our identifications of polycyclic aromatic hydrocarbons and unusual flame retardants received was probably due to the known toxicity and environmental persistence of some of these compounds On the other hand, our identifications of some compounds in the Niagara and Detroit Rivers may have been too site specific to attract much attention. We suggest that simply publishing lists of newly identified compounds in the environment, even if they have been well-characterized, is not necessarily enough. Readers need a reason to focus on a particular result; probably, the most significant reasons for such attention are a compound’s toxicity and environmental persistence. 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. 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.Product Details of 80-46-6

Reference:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Computed Properties of C8H18O2In 2013, Kojima, Hajime;Hayashi, Kazuhiko;Sakaguchi, Hitoshi;Omori, Takashi;Otoizumi, Takuya;Sozu, Takashi;Kuwahara, Hirofumi;Hayashi, Takumi;Sakaguchi, Mayumi;Toyoda, Akemi;Goto, Haruka;Watanabe, Shinichi;Ahiko, Kyoko;Nakamura, Tsuneaki;Morimoto, Takashi published 《Second-phase validation study of short time exposure test for assessment of eye irritation potency of chemicals》. 《Toxicology In Vitro》published the findings. The article contains the following contents:

A Short Time Exposure (STE) test is a cytotoxicity test that uses SIRC cells (rabbit corneal cell line) to assess eye irritation potency following a 5-min chem. exposure. This second-phase validation study assessed the predictive capacity of the STE test using 40 coded test substances at three laboratories A Validation Management Team (VMT) then evaluated the predictivity of the STE test for United Nation (UN) Globally Harmonized System (GHS) categories using 63 test substances including the results of the first-phase validation study. The STE test can assess not only the severe or corrosive ocular irritants (corresponding to the UN GHS Category 1) but also non-irritant (corresponding to UN GHS Non Category) from other toxicity classes, especially for limited types of test substances. The predictivity by STE test, however, was insufficient for identification of UN GHS categories (Category 1, Category 2, or Non Category). These results suggest that the STE test can be recommended as an initial step in a top-down approach to identification of severe irritants and test substances that require classification for eye irritation (UN GHS Category 1) as well as an initial step in a bottom-up approach to identification of test substances that do not require classification for eye irritation (UN GHS Non Category) from other toxicity classes, especially for limited types of test substances. The STE test is not considered adequate for the identification of mild or moderate irritants (i.e., UN GHS Categories 2A and 2B) and severe irritants (UN GHS Category 1).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.Computed Properties of C8H18O2

Reference:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Yuan, Shiyu;Li, Haijing;Liu, Zhiqiang;Wang, Yutong;Wang, Li;Zhang, Xiangwen;Liu, Guozhu published 《Measurement of non-hindered and hindered phenolic species in aviation fuels via tandem-SPE with comprehensive GC x GC-MS/FID》 in 2021. The article was appeared in 《Fuel》. They have made some progress in their research.SDS of cas: 80-46-6 The article mentions the following:

Phenolic species have a great impact on the thermal oxidation stability of aviation fuels. However, it is difficult to measure phenolic complex composition and trace content. In this paper, a novel method based on tandem-solid phase extraction (SPE) with comprehensive two-dimensional gas chromatog. (GC x GC)-mass spectrometry (MS) and flame ionization detector (FID) was proposed for measurement of phenolic species in aviation fuels. The tandem of normal phase SPE and anion exchange SPE was employed to extract non-hindered and hindered phenolic species resp. from aviation fuels, and comprehensive GC x GC-MS/FID was used to identify and quantify individual phenolic species with few co-elution. Ninety-eight kinds of phenolic species were identified manually in aviation fuels according to the characteristic m/z and phenolic distribution regular in the 2D chromatogram. Quant. accuracy for phenolic species was verified as their recoveries were satisfactory, especially hindered phenols (BHT), which were totally deprotonated by 1,5,7-triazabicyclo[4.4.0]dec-5-ene (TBD). Each phenolic species was individually quantified using calibration curve library. Moreover, this work analyzed the adsorption characteristics of phenolic isomers in tandem-SPE procedure and the variation of the contents of phenolic and other oxygenated species after thermal stress. This is an accurate and complete method for measurement of non-hindered and hindered phenolic species in aviation fuels, which is of great significance to establish and improve the kinetic model of thermal oxidation deposition. 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.SDS of cas: 80-46-6

Reference:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Name: 4-tert-Amylphenol《Risk-based high-throughput chemical screening and prioritization using exposure models and in vitro bioactivity assays》 was published in 2015. The authors were Shin, Hyeong-Moo;Ernstoff, Alexi;Arnot, Jon A.;Wetmore, Barbara A.;Csiszar, Susan A.;Fantke, Peter;Zhang, Xianming;McKone, Thomas E.;Jolliet, Olivier;Bennett, Deborah H., and the article was included in《Environmental Science & Technology》. The author mentioned the following in the article:

The authors present a risk-based high-throughput screening (HTS) method to identify chems. for potential health concerns or for which addnl. information is needed. The method is applied to 180 organic chems. as a case study. The authors first obtain information on how the chem. is used and identify relevant use scenarios (e.g., dermal application, indoor emissions). For each chem. and use scenario, exposure models are then used to calculate a chem. intake fraction, or a product intake fraction, accounting for chem. properties and the exposed population. The authors then combine these intake fractions with use scenario-specific estimates of chem. quantity to calculate daily intake rates (iR; mg/kg/day). These intake rates are compared to oral equivalent doses (OED; mg/kg/day), calculated from a suite of ToxCast in vitro bioactivity assays using in vitro-to-in vivo extrapolation and reverse dosimetry. Bioactivity quotients (BQs) are calculated as iR/OED to obtain estimates of potential impact associated with each relevant use scenario. Of the 180 chems. considered, 38 had maximum iRs exceeding min. OEDs (i.e., BQs >1). For most of these compounds, exposures are associated with direct intake, food/oral contact, or dermal exposure. The method provides high-throughput estimates of exposure and important input for decision makers to identify chems. of concern for further evaluation with addnl. information or more refined models. 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 80-46-6In 2017, Han, Jie;Cao, Zhi;Qiu, Wei;Gao, Wei;Hu, Jiangyong;Xing, Baoshan published 《Probing the specificity of polyurethane foam as a ‘solid-phase extractant’: Extractability-governing molecular attributes of lipophilic phenolic compounds》. 《Talanta》published the findings. The article contains the following contents:

The long-proposed use of open-cell polyurethane foam (PUF) as a convenient ‘solid-phase extractant’ for aqueous organic compounds was hindered by a critical lack of understanding on the underlying specificity of its extraction mechanism. The authors tasked ourselves to understand the hierarchy of mol. structure, properties, and partitioning characteristics of compounds in PUF and aqueous phase by targeting lipophilic phenolic compounds (LPCs) as a group of primary targets for PUF extraction Using six structurally related bisphenol analogs as comparative probes, the authors identified mol. lipophilicity and H-bond acidity as key mol. attributes that governed their extractability by PUF. Mol. modeling study on H-bonding interactions between PUF surrogates, bisphenols, and water mols. elucidated the governing effect of H-bond acidity in the binding affinity of guest mols. onto PUF lone-pair donors. A holistic view must be adopted when assessing the extractability of LPCs with reactive lone-pair donors e.g. bisphenol S which forms multidentate H-bond adducts with water mols. The authors validated the authors’ theory on two model groups of monofunctional LPCs, alkylphenols and chlorophenols, with the observation that the presence of a 2nd proton-donating moiety dramatically enhanced the extractability of bisphenol mols. The specificity of PUF rendered it selective towards compounds with correlating mol. attributes against other structural analogs and coexisting matrix organics For LPCs, the PUF macromol. structure can be conceptualized as a flexible ‘mol. zipper network’ that is most affinitive towards nonionic, permeable, and lipophilic guest mols. with multiple reactive proton donors. And 4-tert-Amylphenol (cas: 80-46-6) was used in the research process.

4-tert-acylphenol (cas:80-46-6) contains hydroxyl group. 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. Product Details of 80-46-6

Reference:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Doiuchi, Daiki;Nakamura, Tatsuya;Hayashi, Hiroki;Uchida, Tatsuya published 《Non-Heme-Type Ruthenium Catalyzed Chemo- and Site-Selective C-H Oxidation》 in 2020. The article was appeared in 《Chemistry – An Asian Journal》. They have made some progress in their research.Recommanded Product: 78-69-3 The article mentions the following:

Herein, a Ru(II)(BPGA) complex that could be used to catalyze chemo- and site-selective C-H oxidation was developed. The described ruthenium complex was designed by replacing one pyridyl group on tris(2-pyridylmethyl)amine with an electron-donating amide ligand that was critical for promoting this type of reaction. More importantly, higher reactivities and better chemo-, and site-selectivities were observed for reactions using the cis-ruthenium complex rather than the trans-one. This reaction could be used to convert sterically less hindered methyne and/or methylene C-H bonds of a various organic substrates, including natural products, into valuable alc. or ketone products. 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.Recommanded Product: 78-69-3 Metabolite observed in cancer metabolism. It has a role as a human metabolite.

Reference:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Yamada, Shoya;Kawasaki, Mayu;Fujihara, Michiko;Watanabe, Masaki;Takamura, Yuta;Takioku, Maho;Nishioka, Hiromi;Takeuchi, Yasuo;Makishima, Makoto;Motoyama, Tomoharu;Ito, Sohei;Tokiwa, Hiroaki;Nakano, Shogo;Kakuta, Hiroki published 《Competitive Binding Assay with an Umbelliferone-Based Fluorescent Rexinoid for Retinoid X Receptor Ligand Screening》 in 2019. The article was appeared in 《Journal of Medicinal Chemistry》. They have made some progress in their research.Recommanded Product: 2,5-Dimethyl-2,5-hexanediol The article mentions the following:

Ligands for retinoid X receptors (RXRs), “rexinoids”, are attracting interest as candidates for therapy of type 2 diabetes and Alzheimer’s and Parkinson’s diseases. However, current screening methods for rexinoids are slow and require special apparatus or facilities. Here, we created 7-hydroxy-2-oxo-6-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2H-chromene-3-carboxylic acid (10, CU-6PMN) as a new fluorescent RXR agonist and developed a screening system of rexinoids using 10. Compound 10 was designed based on the fact that umbelliferone emits strong fluorescence in a hydrophilic environment, but the fluorescence intensity decreases in hydrophobic environments such as the interior of proteins. The developed assay using 10 enabled screening of rexinoids to be performed easily within a few hours by monitoring changes of fluorescence intensity with widely available fluorescence microplate readers, without the need for processes such as filtration. 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.Recommanded Product: 2,5-Dimethyl-2,5-hexanediol

Reference:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts