Tag: 100-200

Formula: C10H22OIn 2015, Koivisto, Elina;Ladommatos, Nicos;Gold, Martin published 《Systematic study of the effect of the hydroxyl functional group in alcohol molecules on compression ignition and exhaust gas emissions》. 《Fuel》published the findings. The article contains the following contents:

This paper present the results of experiments conducted in a single cylinder compression ignition research engine to investigate the performance of various alc. fuel mols. Alcs. of C8-C16 chain lengths were tested and the results of these experiments were compared with those for corresponding hydrocarbon mols. Alcs. had higher ignition delays than the various hydrocarbons tested. This is believed to be due to the increased difficulty of both hydrogen abstraction and isomerization, caused by the higher electronegativity of the oxygen atoms in alcs. compared to carbon atoms. Addnl., the location of the hydroxyl group was found to affect ignition delay; mols. in which the hydroxyl group was closer to the center of the carbon chain were observed to have longer ignition delays. In addition, both higher degree of unsaturation and Me branching were shown to increase the ignition delay of alcs., as was expected. Due to higher ignition delays, alc. combustion resulted in higher in-cylinder temperatures than those corresponding to hydrocarbon combustion, giving rise to greater NO_x emissions. In the case of exhaust particulate matter, a shift was observed for alcs. towards a greater number of nucleation particles, in comparison to corresponding alkane mols. 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.Formula: C10H22O Metabolite observed in cancer metabolism. It has a role as a human metabolite.

Reference:
Alcohol – Wikipedia,
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Deng, Xiaolong;Chen, Yuan;Tan, Siqiao;Yuan, Zheming published 《QSAR study on toxicities of alcohol and phenol compounds》. The research results were published in《Huanjing Kexue Xuebao》 in 2016.Reference of 3,7-Dimethyloctan-3-ol The article conveys some information:

The toxicities and features of compounds were generally presented as a non-linear relationship. The compound mol. descriptors calculated by the quantum chem. methods contained numerous irrelevant and redundant features. Although widely used, the current version of minimal redundancy maximal relevance (mRMR) feature selection method was not applicable for continuous dependent variable and the measurement of relevance and redundancy was incomparable. For quant. structure-activity relationship (QSAR), both dependent variables (toxicities) and independent variables (mol. descriptors) were usually continuous. Therefore, we used distance correlation (dCor) to replace Pearson correlation coefficient (R) to solve the measurement comparability between relevance and redundancy, and developed a new feature selection method named mRMR-dCor by combining mRMR with dCor in this work. Based on the inhouse feature selection method and support vector regression (SVR), the independent prediction results of three phenolic and alc. compounds datasets indicated that mRMR-dCor was superior to other reference feature selection methods in the prediction performance, with Q² of 0.954, 0.941 and 0.981, resp. Most of mol. descriptors selected by mRMR-dCor were also reported in previous literatures. Therefore, mRMR-dCor had broad application prospects in various domains such as QSAR and quant. structure-pharmacokinetics relationship.3,7-Dimethyloctan-3-ol (cas: 78-69-3) were involved in the experimental procedure.

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.Reference of 3,7-Dimethyloctan-3-ol Metabolite observed in cancer metabolism. It has a role as a human metabolite.

Reference:
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Ascrizzi, Roberta;Flamini, Guido published 《Wild Harenna coffee: flavour profiling from the bean to the cup》. The research results were published in《European Food Research and Technology》 in 2020.Electric Literature of C10H22O The article conveys some information:

As one of the last places where coffee grows spontaneously, the Harenna forest (Ethiopia) is the origin of the coffee analyzed in this study. The anal. of the volatile emission of each processing phase evaluates the chem. fingerprint of the reactions taking place at each stage, leading to the final aroma. The green beans mainly emit non-terpene esters and alkanes. Once the roasting begins, monoterpenes are the main class until 160°C: at this point, 2,6-dimethylpyrazine prevails in the headspaces, as main product of the Maillard reactions. This compound, with its sweet and nut-like aroma, is also detected in the brewed coffee. The shed silverskins are rich in Me chavicol and retain the monoterpenes on the beans: as these compounds are important aroma contributors, the removal of the silverskins prior to roasting seems non-advisable. The grinding of the samples breaks the matrixes and leads to drastic changes in the volatile emissions. 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.Electric Literature of C10H22O Metabolite observed in cancer metabolism. It has a role as a human metabolite.

Reference:
Alcohol – Wikipedia,
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Name: (S)-2-Amino-2-(4-fluorophenyl)ethanol《Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity》 was published in 2018. The authors were Skepper, Colin K.;Moreau, Robert J.;Appleton, Brent A.;Benton, Bret M.;Drumm, Joseph E.;Feng, Brian Y.;Geng, Mei;Hu, Cheng;Li, Cindy;Lingel, Andreas;Lu, Yipin;Mamo, Mulugeta;Mergo, Wosenu;Mostafavi, Mina;Rath, Christopher M.;Steffek, Micah;Takeoka, Kenneth T.;Uehara, Kyoko;Wang, Lisha;Wei, Jun-Rong;Xie, Lili;Xu, Wenjian;Zhang, Qiong;de Vicente, Javier, and the article was included in《Journal of Medicinal Chemistry》. The author mentioned the following in the article:

In the preceding manuscript the authors described a successful fragment-based lead discovery (FBLD) strategy for discovery of bacterial phosphopantetheine adenylyltransferase inhibitors (PPAT, CoaD). Following several rounds of optimization two promising lead compounds were identified: triazolopyrimidinone (I) and 4-azabenzimidazole (II). Here the authors disclose the efforts to further optimize these two leads for on-target potency and Gram-neg. cellular activity. Enabled by a robust x-ray crystallog. system, the authors’ structure-based inhibitor design approach delivered compounds with biochem. potencies 4-5 orders of magnitude greater than their resp. fragment starting points. Addnl. optimization was guided by observations on bacterial permeability and physicochem. properties, which ultimately led to the identification of PPAT inhibitors with cellular activity against wild-type E. coli. The experimental procedure involved many compounds, such as (S)-2-Amino-2-(4-fluorophenyl)ethanol (cas: 224434-01-9) .

(S) – 2-amino-2 – (4-fluorophenyl) ethanol (cas: 224434-01-9) has the characteristics of alcohol. In general, the hydroxyl group makes alcohols polar. Those groups can form hydrogen bonds to one another and to most other compounds. Name: (S)-2-Amino-2-(4-fluorophenyl)ethanol

Reference:
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Synthetic Route of C10H22OIn 2015, Zaquen, Neomy;Vandenbergh, Joke;Schneider-Baumann, Maria;Lutsen, Laurence;Vanderzande, Dirk;Junkers, Thomas published 《Facile synthesis of well-defined MDMO-PPV containing (tri)block-copolymers via controlled radical polymerization and CuAAC conjugation》. 《Polymers (Basel, Switzerland)》published the findings. The article contains the following contents:

A systematic investigation into the chain transfer polymerization of the so-called radical precursor polymerization of poly(p-phenylene vinylene) (PPV) materials is presented. Polymerizations are characterized by systematic variation of chain transfer agent (CTA) concentration and reaction temperature For the chain transfer constant, a neg. activation energy of -12.8 kJ·mol^-1 was deduced. Good control over mol. weight is achieved for both the sulfinyl and the dithiocarbamate route (DTC). PPVs with mol. weights ranging from thousands to ten thousands g·mol^-1 were obtained. To allow for a meaningful anal. of the CTA influence, Mark-Houwink-Kuhn-Sakurada (MHKS) parameters were determined for conjugated MDMO-PPV ([2-methoxy-5-(3′,7′-dimethyloctyloxy)]-1,4-phenylenevinylene) to α = 0.809 and k = 0.00002 mL·g^-1. Further, high-endgroup fidelity of the CBr₄-derived PPVs was proven via chain extension experiments MDMO-PPV-Br was successfully used as macroinitiator in atom transfer radical polymerization (ATRP) with acrylates and styrene. A more polar PPV counterpart was chain extended by an acrylate in single-electron transfer living radical polymerization (SET-LRP). In a last step, copper-catalyzed azide alkyne cycloaddition (CuAAC) was used to synthesize block copolymer structures. Direct azidation followed by macromol. conjugation showed only partial success, while the successive chain extension via ATRP followed by CuAAC afforded triblock copolymers of the poly(p-phenylene vinylene)-block-poly(tert-Bu acrylate)-block-poly(ethylene glycol) (PPV-b- PtBuA-b-PEG). 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.Synthetic Route of C10H22O Metabolite observed in cancer metabolism. It has a role as a human metabolite.

Reference:
Alcohol – Wikipedia,
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Formula: C10H22O《Chemometric analysis of the volatile fraction evolution of Portuguese beer under shelf storage conditions》 was published in 2015. The authors were Rendall, Ricardo;Reis, Marco S.;Pereira, Ana Cristina;Pestana, Cristina;Pereira, Vanda;Marques, Jose Carlos, and the article was included in《Chemometrics and Intelligent Laboratory Systems》. The author mentioned the following in the article:

In this work we present a multivariate statistical anal. of the evolution of the volatile fraction of Portuguese beer over an extended period of 1 yr under standard shelf storage conditions, using gas chromatog. coupled with mass spectrometry (GC-MS). A systematic methodol. is proposed for detecting the onset of meaningful changes in chem. composition during shelf storage and to monitor its evolution along time. We also put forward and discuss chemometric procedures for analyzing the contributions of different chem. components in the definition of dynamic ageing trends. In summary, the chemometric anal. reveals that the chem. composition of beer presents a statistically meaningful deviation from the reference scenario after a period of 7 mo, although the deviation trend has its onset during the 6th month. The anal. performed also underlines the limitations of current variable contribution methods, and an alternative procedure was proposed based on the anal. in the original domain which finally led to a consistent and interpretable clustering structure of the volatile fraction compounds Esters and higher alc. compounds stand up on a cluster arrangement suggesting that their strict control can effectively point out meaningful changes on beer aroma. Organic acids, namely caprylic, capric and acetic acids can also be very helpful in that sense. 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.Formula: C10H22O Metabolite observed in cancer metabolism. It has a role as a human metabolite.

Reference:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Shin, H.-M.;McKone, T. E.;Bennett, D. H. published 《Model framework for integrating multiple exposure pathways to chemicals in household cleaning products》. The research results were published in《Indoor Air》 in 2017.Recommanded Product: 4-tert-Amylphenol The article conveys some information:

We present a screening-level exposure-assessment method which integrates exposure from all plausible exposure pathways as a result of indoor residential use of cleaning products. The exposure pathways we considered are (i) exposure to a user during product use via inhalation and dermal, (ii) exposure to chem. residues left on clothing, (iii) exposure to all occupants from the portion released indoors during use via inhalation and dermal, and (iv) exposure to the general population due to down-the-drain disposal via inhalation and ingestion. We use consumer product volatilization models to account for the chem. fractions volatilized to air (f_volatilized) and disposed down the drain (f_{down-the-drain}) during product use. For each exposure pathway, we use a fate and exposure model to estimate intake rates (iR) in mg/kg/d. Overall, the contribution of the four exposure pathways to the total exposure varies by the type of cleaning activities and with chem. properties. By providing a more comprehensive exposure model and by capturing addnl. exposures from often-overlooked exposure pathways, our method allows us to compare the relative contribution of various exposure routes and could improve high-throughput exposure assessment for chems. in cleaning products.4-tert-Amylphenol (cas: 80-46-6) were involved in the experimental procedure.

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.Recommanded Product: 4-tert-Amylphenol

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Recommanded Product: 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochlorideIn 1960, Wendt, Gerhard;Bernhart, F. W. published 《The structure of a sulfur-containing compound with vitamin B₆ activity》. 《Archives of Biochemistry and Biophysics》published the findings. The article contains the following contents:

Pyridoxal-HCl (0.001 mole) was added to a warm solution of 0.001 mole 2,4-dinitrophenylhydrazine in 40 ml. of 95% EtOH, the mixture gently heated 5 min., after cooling the orange-yellow crystals collected and suspended 3 times in water with stirring (30 min.) (the crystal color changed to red), filtered off, dried, and recrystallized from iso-BuOH to give yellow crystals of 2,4-dinitrophenylhydrazone, m. 256-7°. To 500 mg. diacetate of bis-4-pyridoxyl disulfide (IV) (500 mg.) in 5 ml. 0.1N HCl was added acetone to a slight turbidity. After standing in the cold, 360 mg. crystals of di-HCl salt separated, m. 222°. IV.2HCl (441 mg.) dissolved in 220 ml. H₂O, neutralized with 168 mg. NaHCO₃, shaken with 2.0 g. Raney Ni catalyst and 3 atm. H 4 hrs. at 25°, the catalyst removed, the combined filtrates concentrated in vacuo in 10 ml., solid NaHCO₃ added to pH 8.6, the solution extracted with CHCl₃ 30 hrs., the extract concentrated to a sirup which was dissolved in EtOH, and alc. HCl added yielded 250 mg. crystals, m. 264-5°. IV.2HCl (500 mg.), 600 mg. Sn foil, and 6 ml. 4N HCl was shaken 20 hrs. at room temperature; after diluting with H₂O the Sn removed as sulfide by filtration, the filtrate dried in vacuo, and recrystallized from EtOH gave 250-300 mg. 4-pyridoxyl mercaptan (VI). VI (100 mg. in 25 ml. H₂O) was adjusted to pH 8.5 with 2N NH₄OH and air passed through the solution until the nitroprusside test was neg. Oxidation was accompanied by the precipitation of the free base of IV in 66% yield, m. 222°. A mixed sample of SB₈.2HCl (Berhart, et al., CA 54, 19993c) and IV.2HCl did not depress the m.p. The identity of both compounds was proved by paper chromatography. 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: 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:
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Mao, Mengmei;Zhang, Le;Yao, Hanlin;Wan, Li;Xin, Zhong published 《Development and Scale-up of the Rapid Synthesis of Triphenyl Phosphites in Continuous Flow》. The research results were published in《ACS Omega》 in 2020.SDS of cas: 80-46-6 The article conveys some information:

A novel method for the synthesis of tri-Ph phosphite and its derivatives was developed in continuous flow. With a total residence time of 20 s, the target product was prepared in a microreactor, and the reaction time was significantly shortened compared with standard single batch reaction conditions. The reaction of various substrates gave the corresponding products in good to excellent yields under optimized conditions. The reactants could be employed in a stoichiometric ratio, making the reaction more efficient, economical, and environmentally friendly. Scale-up apparatus was designed and assembled, and the kilogram-scale production (up to 18.4 kg/h) of tris(2,4-di-tert-butylphenyl) phosphite was achieved in 88% yield. PCl₃. 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. SDS of cas: 80-46-6

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Lazewska, Dorota;Olejarz-Maciej, Agnieszka;Kaleta, Maria;Bajda, Marek;Siwek, Agata;Karcz, Tadeusz;Doroz-Plonka, Agata;Cichon, Urszula;Kuder, Kamil;Kiec-Kononowicz, Katarzyna published 《4-tert-Pentylphenoxyalkyl derivatives – Histamine H₃ receptor ligands and monoamine oxidase B inhibitors》 in 2018. The article was appeared in 《Bioorganic & Medicinal Chemistry Letters》. They have made some progress in their research.Quality Control of 4-tert-Amylphenol The article mentions the following:

The synthesis and biol. activity of 4-tert-pentylphenoxypropyl derivatives I (m = 1, 2, 3, etc.; n = 1; R = H, 2-CH₃, 2,6-(CH₃)₂, 3,5-(CH₃)₂, etc.) are described in this manuscript. All compounds (except one) showed human histamine H₃ receptor affinity with K_i values below 760 nM. The inhibitory activity towards human monoamine oxidase B (hMAO B) was evaluated using a fluorometric Amplex-Red assay, and most of the compounds were found to be effective in the submicromolar range. Among them, 1-(3-(4-tert-pentylphenoxy)propyl)pyrrolidine I (m = 1; n = 1; R = H) exhibited hMAO B inhibitory activity with an IC₅₀ value of 4.5 nM. In addition, hMAO B inhibition by I (m = 1; n = 1; R = H) was shown to be non-competitive and reversible. Further, recently described potent histamine H₃ receptor ligands – 4-tert-pentylphenoxyalkyl derivatives (with a 4-8 carbon spacer) – were evaluated for hMAO B inhibitory activity, and some of them displayed activity in the submicromolar range. Selected compounds were also tested for human MAO A (hMAO A) inhibitory potencies and exhibited no activity. Moreover, mol. modeling studies were carried out for tested compounds to explain their mol. mechanism of hMAO B inhibition and the selectivity of compounds for hMAO B over hMAO A. 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.Quality Control of 4-tert-Amylphenol

Reference:
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