Tag: 100-200

Wang, Hui;Shao, Hong-xia;Qin, Qiu-ming published 《Determination of 2,5-dimethyl-2,5-hexanediol in process components of voriconazole products for injection by UPLC-MS/MS》. The research results were published in《Zhejiang Huagong》 in 2021.Application In Synthesis of 2,5-Dimethyl-2,5-hexanediol The article conveys some information:

Objective: To establish an ultra high performance liquid phase-tandem mass spectrometry (UPLC-MS/MS) method for the determination of 2,5-dimethyl-2,5-hexanediol (DHD) in process components of voriconazole for injection. Methods: The sample was redissolved by water and added with internal standard 2-methylpentane-2,4-diol (MPD), extracted with acetonitrile and injected. The liquid mass spectrometer was used for anal. The mobile phase A was methanol, and mobile phase B was 0.1% ammonia solution Column ACQUITY UPLC BEH Ph (2.1 mm×50 mm, 1.7 μm) was used for separation Electrospray ionization source and multiple reaction monitoring (MRM) mode were used for neg. ion scanning detection. Results: DHD showed a good linearity within between 10.0-68.0 μg·L^-1 (r = 0.9990). The relative average deviation (RSD) of repeatability test was 1%, and the method recovery rate was 84-107%. The lower limit of detection (S/N ≈ 3) was 3.3 ppb, and the lower limit of quantification (S/N ≈ 10) was 10.0 ppb. The sample solution was stable in 24 h at room temperature Conclusion: UPLC-MS/MS method has many advantages, such as high sensitivity, accurate determination results, strong specificity and so on. UPLC-MS/MS method can be applied to the risk monitoring of DHD in process components of voriconazole for injection, and can provide a reference for the detection of DHD in other products. 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.Application In Synthesis of 2,5-Dimethyl-2,5-hexanediol

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HPLC of Formula: 78-69-3《Thiol-yne Click Post-Modification for the Synthesis of Chiral Microporous Organic Networks for Chiral Gas Chromatography》 was published in 2020. The authors were Cui, Yuan-Yuan;Yang, Cheng-Xiong;Yan, Xiu-Ping, and the article was included in《ACS Applied Materials & Interfaces》. The author mentioned the following in the article:

Microporous organic networks (MONs) have shown great potential in diverse domains recently. However, the application of MONs in chiral separation or catalysis has been largely lagged due to the lack of chiral MONs and the challenge to synthesize chiral MONs. Here we report a facile thiol-yne click strategy to post-synthesize chiral MONs for the first application in chiral gas chromatog. Three chiral MONs with different chiral centers were rationally designed and synthesized to fabricate their capillary columns for gas chromatog. resolution of various chiral compounds with better resolution than three com. chiral capillary columns. These results show the great potential of the thiol-yne click strategy for constructing newly chiral MONs and their application in chiral separation And 3,7-Dimethyloctan-3-ol (cas: 78-69-3) was used in the research process.

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.HPLC of Formula: 78-69-3 Metabolite observed in cancer metabolism. It has a role as a human metabolite.

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Reference of (S)-2-Amino-2-(4-fluorophenyl)ethanol《Cascade biocatalysis for regio- and stereoselective aminohydroxylation of styrenyl olefins to enantiopure arylglycinols》 was published in 2020. The authors were Zhang, Jiandong;Yang, Xiaoxiao;Dong, Rui;Gao, Lili;Li, Jing;Li, Xing;Huang, Shuangping;Zhang, Chaofeng;Chang, Honghong, and the article was included in《ACS Sustainable Chemistry & Engineering》. The author mentioned the following in the article:

Chiral β-amino alcs. are privileged scaffolds frequently found in pharmaceutically active mols. and natural products. Aminohydroxylation of olefins is one of the most powerful strategies to access chiral vicinal amino alcs. However, the direct regio- and stereoselective aminohydroxylation of olefins to unprotected enantioenriched β-amino alcs. remains a long-standing challenge. Herein, we report that a novel one-pot four-enzyme [styrene monooxygenase (SMO)/epoxide hydrolase (EH)/alc. dehydrogenase (ADH)/ω-transaminase (TA)] biocatalytic cascade efficiently catalyzes the direct transformation of readily available styrenyl olefins into unprotected 2-amino-2-Ph ethanols in good yields and excellent enantioselectivity. In vitro cascade biocatalysis aminohydroxylation of styrenyl olefins was first investigated by the combined four enzymes (SMO/EH/ADH/TA) with a trace amount of NADH (0.02 mM) and pyridoxal-5′-phosphate (0.1 mM), affording both enantiomers of β-amino alcs. 5a-j in 13.9-98.7% conversions and 86-99% ee. Whole-cell-based cascade biocatalysis was achieved by using the constructed recombinant Escherichia coli pairwise combinations and single tailor-made whole-cell biocatalyst without an addnl. NADH cofactor; (R)- and (S)-β-amino alcs. 5a-j could be obtained in 14.6-99.7% conversions and 86-99% ee. Moreover, the preparative experiments of this new cascade biocatalysis were demonstrated by the single tailor-made whole-cell biocatalyst [E. coli (CGS-DEM) and E. coli (CGS-DEB)] with the substrates 1a-b and 1h in an aqueous-organic two-phase system, affording chiral β-amino alcs. [(R)- or (S)-5a-b, h] in good yields (50.9-64.3%) and excellent ee (>99%). A new type of cascade biocatalysis was developed for regio- and enantioselective aminohydroxylation of styrenyl olefins to useful and valuable chiral arylglycinols in good yields and excellent ee. To complete the study, the researchers used (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. Reference of (S)-2-Amino-2-(4-fluorophenyl)ethanol

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HPLC of Formula: 78-69-3In 2021, Murad, Ary R.;Iraqi, Ahmed;Aziz, Shujahadeen B.;Abdullah, Sozan N.;Brza, Mohamad A.;Saeed, Salah R.;Abdulwahid, Rebar T. published 《Fabrication of alternating copolymers based on cyclopentadithiophene-benzothiadiazole dicarboxylic imide with reduced optical band gap: synthesis, optical, electrochemical, thermal, and structural properties》. 《Polymers (Basel, Switzerland)》published the findings. The article contains the following contents:

A series of alternating copolymers containing cyclopentadithiophene (CPDT) flanked by thienyl moieties as electron-donor units and benzothiadiazole dicarboxylic imide (BTDI) as electron-acceptor units were designed and synthesized for solar cell applications. Different solubilizing side chains, including 2-ethylhexyl chains and n-octyl chains were attached to CPDT units, whereas 3,7-dimethyloctyl chains and n-octyl chains were anchored to the BTDI moieties. The impact of these substituents on the solubilities, mol. weights, optical and electrochem. properties, and thermal and structural properties of the resulting polymers was investigated. PCPDTDTBTDI-EH, DMO was synthesized via Suzuki polymerization, whereas PCPDTDTBTDI-8, DMO, and PCPDTDTBTDI-EH, 8 were prepared through direct arylation polymerization PCPDTDTBTDI-8, DMO has the highest number average mol. weight (M_n = 17,400 g mol-1) among all polymers prepared The PCPDTDTBTDI-8, DMO and PCPDTDTBTDI-8, 8 which have n-octyl substituents on their CPDT units have comparable optical band gaps (E_g ∼ 1.3 eV), which are around 0.1 eV lower than PCPDTDTBTDI-EH, DMO analogs that have 2-ethylhexyl substituents on their CPDT units. The polymers have their HOMO levels between -5.10 and -5.22 eV with PCPDTDTBTDI-EH, DMO having the deepest HOMO (HOMO) energy level. The LUMO (LUMO) levels of the polymers are between -3.4 and -3.5 eV. All polymers exhibit good thermal stability with decomposition temperatures surpassing 350 °C. Powder X-ray diffraction (XRD) studies have shown that all polymers have the amorphous nature in solid state. 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.HPLC of Formula: 78-69-3 Metabolite observed in cancer metabolism. It has a role as a human metabolite.

Reference:
Alcohol – Wikipedia,
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Yamashita, Junko;Hirata, Yukio published 《Running fits and γ-aminobutyric acid of the superior colliculus of the mouse》 in 1979. The article was appeared in 《Journal of Nutritional Science and Vitaminology》. They have made some progress in their research.Electric Literature of C8H12ClNO2 The article mentions the following:

The γ-aminobutyric acid content of the superior colliculus of the mouse brain was decreased following the induction of running fits by the intracollicular injection of the antivitamin B₆ compound semicarbazide. Aminooxyacetic acid hemihydrochloride, an inhibitor of 4-aminobutyrate-2-oxoglutarate aminotransferase (EC 2.6.1.19) with a resultant increase in GABA levels, has been shown to exert an antidotal effect on the induction of running fits. Therefore, this type of convulsive behavior is apparently associated with diminished levels of GABA in the superior colliculus. Running fits were also induced by the antivitamin B₆ compounds thiosemicarbazide and 4-deoxypyridoxine-HCl, and presumedly this was also the result of a decrease in GABA level. And 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride (cas: 148-51-6) was used in the research process.

5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride(cas:148-51-6 Electric Literature of C8H12ClNO2) 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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Alcohol – Wikipedia,
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Alepee, Nathalie;Leblanc, Virginie;Grandidier, Marie-Helene;Teluob, Severine;Viricel, Anaelle;Adriaens, Els;Michaut, Valerie published 《SkinEthic HCE Time-to-Toxicity on solids: A test method for distinguishing chemicals inducing serious eye damage, eye irritation and not requiring classification and labeling》. The research results were published in《Toxicology In Vitro》 in 2021.COA of Formula: C8H18O2 The article conveys some information:

This study describes the development of a Time-to-Toxicity approach for solids (TTS) based on the SkinEthic HCE tissue construct, capable to distinguish chems. that do not require classification for serious eye damage/eye irritation (No Cat.) from chems. that require classification for eye irritation (Cat. 2), and serious eye damage (Cat. 1). Briefly, the time-to-toxicity of 69 solids was evaluated by exposing SkinEthic HCE tissue constructs to the test chem. for two different time periods (30-min, and 120-min). Based on the viability observed for the different exposure periods, a classification was assigned. The within laboratory reproducibility in terms of concordance in classifications (3 UN GHS categories), based on a set of 48 solids, was 93.7%. Furthermore, 73.6% Cat. 1 (N = 24), 55.6% Cat. 2 (N = 15) and 72.2% No Cat. (N = 30) were correctly identified with the SkinEthic HCE TTS test method. This study provides evidence that the SkinEthic HCE Time-to-Toxicity method (multiple exposure times) can distinguish Cat. 2 solids from Cat. 1 solids. This is an added value compared to the SkinEthic HCE EITS method (single exposure time) that can distinguish No Cat. chems. from chems. that do require classification and labeling for eye irritation/serious eye damage (Cat. 2/Cat. 1). And 2,5-Dimethyl-2,5-hexanediol (cas: 110-03-2) was used in the research process.

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.COA of Formula: C8H18O2

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Leblanc, Virginie;Yokota, Mariko;Grandidier, Marie-Helene;Yoshida, Daisuke;Adriaens, Els;Cotovio, Jose;Kyoutani, Daiki;Alepee, Nathalie published 《SkinEthic HCE Eye Irritation Test: Similar performance demonstrated after long distance shipment and extended storage conditions》. The research results were published in《Toxicology In Vitro》 in 2019.Electric Literature of C8H18O2 The article conveys some information:

Assessment of ocular irritation risk is an international regulatory requirement in the safety evaluation of products. In response to this need, L’Oreal developed the SkinEthic Human Corneal Epithelium (HCE) Eye Irritation Test (EIT) that has been included in OECD Test Guideline 492. SkinEthic HCE EIT is able to correctly and reliably identify chems. not requiring classification vs. labeling for eye irritation or serious eye damage according to UN GHS. In an effort to promote its global use, the performance of the method was evaluated after long-distance shipment and compared to European shipment conditions. Results obtained by Cosmos Tech. Center (Japan) after extended tissues transit were compared to results obtained in L’Oreál (France). Thirty-nine out of 40 blinded chems., representing different functional chem. classes, were consistently classified in both laboratories The SkinEthic HCE EIT test method was also evaluated for its performance after extended storage of the tissues. The performance was in agreement with the values reported in OECD TG 492, with an overall accuracy of 87.1% (based on 119 chems.), sensitivity of 95.5% and specificity of 73.5%. The reliability and relevance of SkinEthic HCE EIT test method after long-distance shipment and extended storage remain in agreement with regulatory validation criteria. 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.Electric Literature of C8H18O2

Reference:
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Safety of 2,5-Dimethyl-2,5-hexanediolIn 2014, Xu, Zhihan;Pan, Shen;Huang, Yan-gen published 《Synthesis and biological evaluation of new retinoid derivatives》. 《Youji Huaxue》published the findings. The article contains the following contents:

The key intermediate boronic acid 2 was synthesized via sequential reactions of Friedel-Crafts alkylation, bromination and nucleophilic reaction by using anisole as starting material. Hydroxyacetone was converted to bromide compound 3 by the Wittig reaction, bromination, Arbuzov reaction and Homer-Wadsworth-Emmons (HWE) reaction. Three novel retinoid derivatives 1a-1c can be obtained via the Suzuki coupling reaction of the boronic acid 2 with bromide compound 3, Me 4-bromo-2-fluorobenzoate (4) or Me 6-bromonicotinate (5) and followed by hydrolysis of the corresponding esters. In addition, trifluoromethyl substituted retinoid derivative 1d was synthesized via sequential reactions of Friedel-Crafts alkylation nitration, trifluoromethylation, reduction and nucleophilic reaction with bromobenzene as starting material. The structures of four new retinoid derivatives 1a-1d were confirmed by ¹H NMR, ¹³C NMR, IR and HRMS analyses. Furthermore, the inducing differentiation abilities of mols. 1a-1d for HL-60 cells were tested, and the results revealed that these four retinoid derivatives are biol. active. The IC₅₀ values of fluorinated derivatives 1b and 1d are lower than that of com. medicine all trans retinoid acid (ATRA).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) was used in the synthesis of six- and seven-membered heterocyclic boron compounds containing intramolecular N-B bond.Safety of 2,5-Dimethyl-2,5-hexanediol

Reference:
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Category: alcohols-buliding-blocksIn 2013, Wei, Wei;Ma, Shuai;Han, Zeng-ying;Cao, Sheng-hua;Ding, Xiao-dong published 《Synthesis and optimization of bexarotene》. 《Huaxue Yanjiu Yu Yingyong》published the findings. The article contains the following contents:

The anti-cancer drug bexarotene was synthesized through seven main reactions such as chlorination, Friedel-Crafts alkylation, Friedel-Crafts acylation, Wittig reaction, hydrolysis reaction etc. This route was optimized greatly which featured with low cost and easy operation procedure. And 2,5-Dimethyl-2,5-hexanediol (cas: 110-03-2) was used in the research process.

2,5-Dimethyl-2,5-hexanediol(cas:110-03-2) was used in the synthesis of six- and seven-membered heterocyclic boron compounds containing intramolecular N-B bond.Category: alcohols-buliding-blocks

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Salafranca, Jesus;Clemente, Isabel;Isella, Francesca;Nerin, Cristina;Bosetti, Osvaldo published 《Influence of oxygen and long term storage on the profile of volatile compounds released from polymeric multilayer food contact materials sterilized by gamma irradiation》. The research results were published in《Analytica Chimica Acta》 in 2015.Reference of 4-tert-Amylphenol The article conveys some information:

The profile of volatile compounds released from 13 different multilayer polymeric materials for food use, before and after their exposure to gamma radiation, has been assessed by solid-phase microextraction-gas chromatog.-mass spectrometry. Thermosealed bags of different materials were filled with either air or nitrogen to evaluate the oxygen influence. One-third of the samples were analyzed without irradiation, whereas the rest were irradiated at 15 and 25 kGy. Half of the samples were processed just after preparation and the other half was stored for 8 mo at room temperature prior to anal. Very significant differences between unirradiated and irradiated bags were found. About 60-80 compounds were released and identified per sample. A huge peak of 1,3-ditertbutylbenzene was present in most of the irradiated samples. An outstanding reproducibility in all the variables evaluated (chromatograms, oxygen percentage, volume of bags) was noticed. Independently of filling gas, the results of unirradiated materials were almost identical. In contrast, the chromatog. profile and the odor of irradiated bags filled with nitrogen were completely different to those filled with air. Principal component anal. was performed and 86.9% of the accumulated variance was explained with the first two components. The migration of compounds from irradiated materials to the vapor phase was much lower than the limits established in the Commission Regulation (EU) No 10/2011. 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. Reference of 4-tert-Amylphenol

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