Tag: M.W=100-150

El-Masry, Amal A. published the artcileEco-friendly green liquid chromatographic determination of azelastine in the presence of its degradation products: applications to degradation kinetics, Computed Properties of 111-87-5, the main research area is azelastine hydrochloride microemulsion liquid chromatog degradation kinetics.

Background: Green solvents such as microemulsion were used in the proposed method because they play a vital role in the anal. method’s influence on the environment. Objective: A highly sensitive, specific, and validated stability-indicating eco-friendly green microemulsion liquid chromatog. (MELC) method was developed for separation of the antihistaminic drug Azelastine HCl (AZL) from its degradation products with application to degradation kinetics. Methods: Chromatog. separation was operated on a C18 column with a microemulsion mobile phase, which consists of 0.1 M sodium dodecyl sulfate, 10% n-propanol, 1% n-octanol, and 0.3% triethylamine, by using 0.02 M phosphoric acid at pH 3.5 and irbesartan as internal standard The eluted compounds were monitored at 210 nm with flow rate 1 mL/min at ambient temperature Results: A linear dependence of the peak area on drug concentration over the concentration range of 0.1 to 25 μg/mL was achieved with an LOD of 0.04 μg/mL and an LOQ of 0.10 μg/mL. Moreover, the proposed method was successfully applied for determination of AZL in eye drops and metered dose nasal inhaler as well as to study the kinetics of alk., acidic, neutral, oxidative, and photolytic degradation processes of AZL according to the International Council for Harmonization guidelines. Conclusions: The proposed method could be used as a harmless alternative for quality control anal. of the mentioned drug, without interference from dosage form additives or decomposition products. Highlights: A highly sensitive stability-indicating eco-friendly green MELC method was developed for the separation of the antihistaminic drug AZL from its degradation products.

Journal of AOAC International published new progress about Acid hydrolysis. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Computed Properties of 111-87-5.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Zhou, Yumei published the artcilePlasma metabolites and gut microbiota are associated with T cell Imbalance in BALB/c model of eosinophilic asthma, Application of (S)-2-hydroxysuccinic acid, the main research area is metabolite immunity eosinophilic allergy asthma; Tcell imbalance; drug treatment; eosinophilic asthma; gut microbiota; plasma metabolites.

The pathogenesis of allergic asthma is complex, it is usually caused by immune system imbalance. Th1, Th2, regulatory T cells (Treg) and T helper 17 (Th17) cells have an important role in the pathogenesis of eosinophilic asthma. Yet, the exact role of Th1, Th2, Treg and Th17 cells in eosinophilic asthmatic disease is not fully understood. This study used an untargeted plasma metabolomics combine 16S rDNA technol. to identify new biomarkers of plasma metabolites and gut microbiota in ovalbumin-induced eosinophilic allergic asthma in BALB/c mice to further explore the biomarkers in regulating the immune balance or the immune response. We discovered that malate, L-dihydroorotate were associated with Th1/Th2 and Treg/Th17 cells balance, imidazoleacetic acid was associated with Th1/Th2 cell balance, 1,5-anhydro-d-sorbitol was associated with Treg/Th17 cell balance. The results also found that genus Candidatus Arthromitus of gut microbiota were associated with Th1/2, Treg/Th17 balance, genus Ruminiclostridium 6, they were all associated with Th1/2 and Treg/Th17 cell balance, while the gut microbiota were not associated with penh value which reflect airway hyperresponsiveness (AHR) in the eosinophilic asthma mice model. Interestingly, the plasma metabolite biomarkers of malate, L-dihydroorotate are associated with genus Ruminiclostridium 6, they were all associated with Th1/2 and Treg/Th17 cell balance, while imidazoleacetic acid is associated with genus Ruminiclostridium 6 which is associated with Th1/2 balance. Among the differential plasma metabolites, 1,5-anhydro-d-sorbitol is associated with genus Ruminiclostridium6 and genus Candidatus Arthromitus. Among them, malate participate in the T cell activation, T cell differentiation and activation may be a new research direction in eosinophilic allergic asthma. We firstly study the gut microbiota and plasma metabolites markers of immune balance in eosinophilic asthma in mice model, laying a foundation for drug treatment in eosinophilic allergic asthma.

Frontiers in Pharmacology published new progress about Allergic asthma. 97-67-6 belongs to class alcohols-buliding-blocks, name is (S)-2-hydroxysuccinic acid, and the molecular formula is C4H6O5, Application of (S)-2-hydroxysuccinic acid.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Arcari, Stefany Grutzmann published the artcileAroma profile and phenolic content of merlot red wines produced in high-altitude regions in Brazil, Formula: C4H10OS, the main research area is aroma phenolic Merlot red wine high altitude Brazil.

In Brazil, wine-growing regions of high altitude have been evaluated for the cultivation of grapes destined for the production of quality wines. In this study the phenolic content, the volatile compounds profile and the in vitro antioxidant activity of samples produced in Agua Doce, Campos Novos and Tangara were determined using spectrophotometric and chromatog. techniques. A total of 95 volatile compounds were identified in the samples analyzed, of which borneol is reported in Brazilian Merlot wines for the first time. The quant. results showed that the most important volatile compounds for wine aroma were esters, fatty acids, 1-hexanol and 2-phenylethanol alcs., and C13-norisoprenoids β-damascenone and α-ionone. The phenolic content observed was comparable to the results obtained for Merlot red wines from other regions in Brazil and in other countries. Also, the wine samples were effective in capturing the free radicals DPPH and ABTS.

Quimica Nova published new progress about Altitude (high). 505-10-2 belongs to class alcohols-buliding-blocks, name is 3-(Methylthio)propan-1-ol, and the molecular formula is C4H10OS, Formula: C4H10OS.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Manolov, Stanimir P. published the artcileMicrowave-assisted synthesis of 1,2,3,4-tetrahydroisoquinoline sulfonamide derivatives and their biological evaluation, Computed Properties of 22483-09-6, the main research area is methylsulfonyl tetrahydroisoquinoline green preparation antioxidant antitryptic antibacterial lipophilicity antiinflammatory.

An alternative eco-friendly method for the synthesis of 2-(methylsulfonyl)-1,2,3,4-tetrahydroisoquinolines I [R = H, MeO; R1 = H, Ph, 3,4-di-MeOC6H3] was reported. All obtained compounds were screened for their in vitro inhibition of albumin denaturation, antioxidant, antitryptic and antibacterial activity, and havd shown significant results. The lipophilicity was established using both reversed-phase thin layer chromatog. and in silico calculations

Journal of the Serbian Chemical Society published new progress about Amidoalkylation. 22483-09-6 belongs to class alcohols-buliding-blocks, name is 2,2-Dimethoxyethanamine, and the molecular formula is C4H11NO2, Computed Properties of 22483-09-6.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Zhang, Yong-Kang published the artcileBenzoxaborole Antimalarial Agents. Part 5. Lead Optimization of Novel Amide Pyrazinyloxy Benzoxaboroles and Identification of a Preclinical Candidate, COA of Formula: C3H5F3O, the publication is Journal of Medicinal Chemistry (2017), 60(13), 5889-5908, database is CAplus and MEDLINE.

Carboxamide pyrazinyloxy benzoxaboroles were investigated with the goal to identify a mol. with satisfactory antimalarial activity, physicochem. properties, pharmacokinetic profile, in vivo efficacy, and safety profile. This optimization effort discovered 46, which met our target candidate profile. Compound 46 had excellent activity against cultured Plasmodium falciparum, and in vivo against P. falciparum and P. berghei in infected mice. It exhibited good PK properties in mice, rats, and dogs. It was highly active against the other 11 P. falciparum strains, which are mostly resistant to chloroquine and pyrimethamine. The rapid parasite in vitro reduction and in vivo parasite clearance profile of 46 were similar to those of artemisinin and chloroquine, two rapid-acting antimalarials. It was nongenotoxic in an Ames assay, an in vitro micronucleus assay, and an in vivo rat micronucleus assay when dosed orally up to 2000 mg/kg. The combined properties of this novel benzoxaborole support its progression to preclin. development.

Journal of Medicinal Chemistry published new progress about 2240-88-2. 2240-88-2 belongs to alcohols-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Aliphatic hydrocarbon chain,Alcohol, name is 3,3,3-Trifluoropropan-1-ol, and the molecular formula is C18H34N4O5S, COA of Formula: C3H5F3O.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Zhang, Yong-Kang published the artcileBenzoxaborole Antimalarial Agents. Part 5. Lead Optimization of Novel Amide Pyrazinyloxy Benzoxaboroles and Identification of a Preclinical Candidate, Name: 3-Ethylazetidin-3-ol hydrochloride, the publication is Journal of Medicinal Chemistry (2017), 60(13), 5889-5908, database is CAplus and MEDLINE.

Carboxamide pyrazinyloxy benzoxaboroles were investigated with the goal to identify a mol. with satisfactory antimalarial activity, physicochem. properties, pharmacokinetic profile, in vivo efficacy, and safety profile. This optimization effort discovered 46, which met our target candidate profile. Compound 46 had excellent activity against cultured Plasmodium falciparum, and in vivo against P. falciparum and P. berghei in infected mice. It exhibited good PK properties in mice, rats, and dogs. It was highly active against the other 11 P. falciparum strains, which are mostly resistant to chloroquine and pyrimethamine. The rapid parasite in vitro reduction and in vivo parasite clearance profile of 46 were similar to those of artemisinin and chloroquine, two rapid-acting antimalarials. It was nongenotoxic in an Ames assay, an in vitro micronucleus assay, and an in vivo rat micronucleus assay when dosed orally up to 2000 mg/kg. The combined properties of this novel benzoxaborole support its progression to preclin. development.

Journal of Medicinal Chemistry published new progress about 935668-00-1. 935668-00-1 belongs to alcohols-buliding-blocks, auxiliary class Azetidine,Salt,Alcohol, name is 3-Ethylazetidin-3-ol hydrochloride, and the molecular formula is C18H35NO, Name: 3-Ethylazetidin-3-ol hydrochloride.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Yap, Chew Pheng published the artcileMetal-free catalytic hydrogen production from a polymethylhydrosilane-water mixture, Safety of Triethylsilanol, the publication is RSC Advances (2016), 6(7), 5903-5906, database is CAplus.

Hydrogen gas is the most promising carbon-free energy carrier although its on-demand generation remains a formidable challenge. One of the potential pathways for generating hydrogen is through hydrolytic oxidation of organosilanes. Here, we demonstrate that the hydroxide ion OH^– serves as a potent room-temperature metal-free catalyst in the hydrolytic oxidation of polymethylhydrosilane, PMHS to hydrogen gas and the corresponding silanol with a turnover number and turnover frequency in excess of 200 and 8 min^-1 resp. Kinetic studies suggest the hydrogen generation rate is first order with respect to PMHS and OH^– but zero order with respect to water. The first step of the reaction, where the Si center of PMHS is attacked by the OH^– ion, is believed to be the rate-determining step.

RSC Advances published new progress about 597-52-4. 597-52-4 belongs to alcohols-buliding-blocks, auxiliary class Aliphatic Chain, name is Triethylsilanol, and the molecular formula is C7H7ClN2S, Safety of Triethylsilanol.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Chainet, Fabien published the artcileCombining Fourier Transform-Ion Cyclotron Resonance/Mass Spectrometry Analysis and Kendrick Plots for Silicon Speciation and Molecular Characterization in Petroleum Products at Trace Levels, Product Details of C6H16OSi, the publication is Analytical Chemistry (Washington, DC, United States) (2012), 84(9), 3998-4005, database is CAplus and MEDLINE.

A new method combining FT-ICR/MS anal. and Kendrick plots for the characterization of silicon species at trace levels in light petroleum products is presented. The method provides efficient instrumental detection limits ranging from 80 ng/kg to 5 μg/kg and reliable mass accuracy lower than 0.50 ppm for model silicon mols. in spiked gasoline. More than 3000 peaks could be detected in the m/z 50-500 range depending on the nature of the gasoline sample analyzed. An inhouse software program was used to calculate Kendrick plots. Then, an algorithm searched, selected, and represented silicon species classes (O₂Si, O₃Si, and O₄Si classes) in Kendrick plots by incorporating model mols.’ information (i.e., exact mass and intensity). This procedure allowed the complete characterization of more than 50 new silicon species with different degrees of unsaturation in petroleum products.

Analytical Chemistry (Washington, DC, United States) published new progress about 597-52-4. 597-52-4 belongs to alcohols-buliding-blocks, auxiliary class Aliphatic Chain, name is Triethylsilanol, and the molecular formula is C6H16OSi, Product Details of C6H16OSi.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Ho, Angel published the artcileAcid-Catalyzed Intramolecular Ring-Opening Reactions of Cyclopropanated Oxabenzonorbornadienes with Carboxylic Acid Nucleophiles, Related Products of alcohols-buliding-blocks, the publication is Synthesis (2022), 54(5), 1422-1430, database is CAplus.

The present work demonstrates the ability of carboxylic acid tethered cyclopropanated oxabenzonorbornadienes (CPOBDs) to undergo ring-opening reactions in mild acidic conditions. The optimized reaction conditions involve the use of pTsOH in DCE at 90°C. Two regioisomers are formed but the reactions are highly regioselective towards type 3 ring-opened products. It was observed that substitution at the C5 and aryl positions of CPOBD significantly hinders the ring-opening reactions leading to decreased yields of ring-opened products, although high regioselectivity for the Type 3 ring-opened products is still maintained. Herein, the first examples of acid-catalyzed intramol. ring-opening reactions of CPOBD with carboxylic acid nucleophiles are reported.

Synthesis published new progress about 111-29-5. 111-29-5 belongs to alcohols-buliding-blocks, auxiliary class Aliphatic hydrocarbon chain,Alcohol,Ploymers, name is Pentane-1,5-diol, and the molecular formula is C5H12O2, Related Products of alcohols-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

McBee, E. T. published the artcileThe preparation and properties of some compounds containing the 4,4,4-trifluorocrotyl group, COA of Formula: C4H5F3O, the publication is Journal of the American Chemical Society (1954), 3725-8, database is CAplus.

The preparation and reactions of several compounds containing the CF₃CH:CHCH₂ group are described, and an unusual reaction of LiAlH₄, the reduction of CF₃CHBrCHBrCO₂Et (I) to CF₃CH:CHCH₂OH (II) at about -80°, is reported. CF₃CH:CHCO₂Et (IIa) (76 g.) in 150 cc. CCl₄ refluxed, the mixture treated dropwise with 90 g. Br with the occasional addition of 150 cc. CCl₄ in portions to keep the Br in solution, the mixture refluxed 24 hrs. while illuminating with a 100-watt bulb, the excess Br and CCl₄ distilled off at atm. pressure, the residue distilled, b₁₅ 65-92°, and the distillate rectified yielded 125 g. (84.5%) I, b₁₅ 90.0-2.0°, n²⁰_D 1.4448, d₂₅ 1.823. I treated with PhCH₂NH₂ (III) gave only III. HBr, m. 220°. CF₃CH:CHCO₂H (IV) (20 g.) and 60 g. BzCl slowly heated to 195° while distilling the acid chloride from the mixture, and the distillate, b. 64-72°, rectified gave 11.5 g. (50%) CF₃CH:CHCOCl (V), m. 77.0-7.5°, n²⁰_D 1.3703, d₂₅ 1.362; it gave with MeNH₂ the N-Me amide of IV, m. 110°. BzCl (300 g.)treated with IV at 150-60° (obtained as the residue from the acidolysis of 100 g. IIa with HCO₂H) dropwise while slowly distilling the acid chloride from the reactor, the residual mixture treated with 100 g. BzCl and heated until no more chloride distilled, and the crude distillate rectified yielded 65.0 g. (67%) V. CF₃CH(OH)CH₂CO₂Et (46.5 g.) in an equal volume Et₂O added dropwise with cooling during 0.5 hr. to 12.0 g. LiAlH₄ in 200 cc. dry Et₂O, the mixture stirred 12 hrs. at room temperature, the excess hydride destroyed with 95% EtOH, the mixture treated with 50 cc. concentrated H₂SO₄ and 250 g. ice, the acid layer extracted twice with 100-cc. portions Et₂O, the combined organic layer and extract distilled, and the residue dried azeotropically with C₆H₆ and distilled yielded 30 g. (83%) CF₃CH(OH)CH₂CH₂OH, b₂₀ 104-5°, viscous cloudy liquid which solidified during several hrs. at 0° to give a white, crystalline and deliquescent solid. I (163 g.) in 200 cc. Et₂O added dropwise with stirring at about -80° to 20 g. LiAlH₄ in 400 cc. dry Et₂O, the mixture stirred 20 hrs. at about -80°, the excess hydride destroyed with 95% EtOH, the reaction complex poured into 100 cc. concentrated H₂SO₄ and 1 kg. ice, the acid layer washed with two 100-cc. portions Et₂O, the combined organic layer and extract dried with Drierite and evaporated, the residue dried azeotropically with 25 cc. C₆H₆ and distilled, and the distillate, b₂₈ 35-54° rectified yielded 33.0 g. (50%) II, b. 128.0-8.5°, n²⁰_D 1.3578, d₂₅ 1.256; phenylurethan, m. 63.0°. B(OMe)₃ (73.0 g.) added dropwise to 18.0 g. NaH in 750 cc. dry, refluxing tetrahydrofuran, the mixture refluxed 2 hrs., cooled, let settle, and filtered under N pressure through glass wool, the filtrate treated with 52.0 g. V in 150 cc. dry tetrahydrofuran, the mixture stirred 2 hrs., treated cautiously with H₂O, and poured into 50 cc. concentrated H₂SO₄ and 1 kg. ice, the resulting homogeneous solution extracted with about 1500 cc. Et₂O in portions, the extract dried with Na₂SO₄, the solvents distilled off, and the residue rectified yielded 12.0 g. (33%) II. IIa (33.5 g.) in an equal volume Et₂O added with cooling during 1 hr. to iso-PrMgBr from 74 g. iso-PrBr and 14.4 g. Mg, the mixture hydrolyzed with ice-cold 10% aqueous H₂SO₄, and the product rectified yielded 17.0 g. (40%) Me₂CHCH(CF₃)CH₂CO₂Et, b₆₅ 98.0-9.0°, n²⁰_D 1.3850, d²⁵ 1.113; Me₂CHCH(CF₃)CH₂CO₂NHNH₂, m. 41.0°; apparently this is the m.p. of a hydrate; after drying in an Abderhalden pistol over P₂O₅ the material turned liquid in air, then solidified to the 41.0° material; Me₂CHCH(CF₃)CH₂CONHPh, m. 129.0°. IIa (33.5 g.) added to EtMgI from 93 g. EtI and 14.4 g. Mg, the mixture hydrolyzed with saturated aqueous NH₄Cl, the aqueous layer extracted with Et₂O, and the combined organic layer and extract distilled gave 15.9 g. (40%) CF₃CHEtCH₂CO₂Et, b₂₅ 62.0-5.0°, n²⁰_D 1.3750, d₂₅ 1.110. Freshly distilled (iso-PrO)₃Al (5.5 g.) and 10 g. II heated slowly at 65-70° and 100 mm. pressure, the mixture kept 1 hr. at this temperature while slowly distilling off some iso-PrOH, heated to 110° to remove all iso-PrOH, and distilled at 20 mm. to remove 1.3 g. II, the residue treated at 65° and 100 mm. dropwise with 16.3 g. p-MeOC₆H₄CHO, and the mixture distilled gave 3.0 g. CF₃CH:CHCHO, clear, water white liquid, b₇₀ 70-6°; 2,4-dinitrophenylhydrazone, m. 226.0°.

Journal of the American Chemical Society published new progress about 83706-94-9. 83706-94-9 belongs to alcohols-buliding-blocks, auxiliary class Trifluoromethylated Building Blocks, name is (E)-4,4,4-Trifluorobut-2-en-1-ol, and the molecular formula is C4H5F3O, COA of Formula: C4H5F3O.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts