Author: tianli

Poce, Giovanna; Cocozza, Martina; Alfonso, Salvatore; Consalvi, Sara; Venditti, Giulia; Fernandez-Menendez, Raquel; Bates, Robert H.; Barros Aguirre, David; Ballell, Lluis; De Logu, Alessandro; Vistoli, Giulio; Biava, Mariangela published the artcile< In vivo potent BM635 analogue with improved drug-like properties>, COA of Formula: C6H13NO, the main research area is pyrrolyl methanamine preparation antimycobacterial antitumor human SAR docking pharmacokinetics; Anti-mycobacterials; Drug discovery; MmpL3; Pyrroles; Tuberculosis.

Herein an efficient method was reported for the design, synthesis, biol. evaluation, pharmacokinetic anal. as well as in vivo TB mouse efficacy studies of novel (2-methyl-1H-pyrrol-3-yl)methanamines I [R = Me, 4-i-PrC6H4, 4-F3CC6H4, etc.; R1 = i-Pr, cyclohexyl, 4-FC6H4, etc.; R2 = 4-morpholinyl, 3-hydroxy-1-piperidyl, 3-methoxy-1-piperidyl] from 2-methyl-1H-pyrroles, formaldehyde and amines under Mannich reaction conditions. These BM635 analogs I showed improved physicochem. properties and excellent antimycobacterial activity. This hit-to-lead campaign led to the identification of a new compound I [R = 4-i-PrC6H4, R1 = i-Pr, R2 = 4-morpholinyl] that showed excellent activity (MIC = 0.15 μM; SI = 133) against drug-sensitive Mycobacterium tuberculosis strains as well as efficacy in a murine model of TB infection.

European Journal of Medicinal Chemistry published new progress about Amines Role: RCT (Reactant), RACT (Reactant or Reagent). 6850-39-1 belongs to class alcohols-buliding-blocks, and the molecular formula is C6H13NO, COA of Formula: C6H13NO.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Zhang, Yuandi; Xu, Jingguo; Ding, Fang; Deng, Wanyu; Wang, Xi; Xue, Yansong; Chen, Xiaoxue; Han, Bei-Zhong published the artcile< Multidimensional profiling indicates the shifts and functionality of wheat-origin microbiota during high-temperature Daqu incubation>, HPLC of Formula: 87-73-0, the main research area is multidimensional profiling wheat microbiota high temperature Daqu incubation; Daqu; Incubation; Microbiota; Non-VOCs; VOCs; Wheat.

Wheat-origin microbiota is a critical factor in the assembly of the microbial community during high-temperature Daqu incubation. However, the succession and functional mechanisms of these microbial communities in Daqu are still unclear. This study investigated the shifts in microbiota diversity from the wheat to the end of incubation by the third generation Pacific Biosciences (PacBio) single-mol., real-time (SMRT) sequencing technol. Results indicated that Staphylococcus, Pantoea, Alternaria, and Mycosphaerella were the dominant genera of wheat-origin microbiota while Bacillus and Thermoascus were the most predominant bacterial and fungal genera of Daqu microbiota, resp. Metabolite detection revealed that volatile organic compounds (VOCs) changed obviously in different incubation stages and the 7th day to the 15th day of incubation was the critical period for the formation of VOCs. The content of non-VOCs, especially sugars, increased steeply in the first four days of incubation. The network anal. between microbes and metabolites showed that Thermoactinomyces and Staphylococcus had opposite correlations with most non-VOCs. Alternaria and Mycosphaerella had strong pos. correlations with fructose. As key functional fungal genera in wheat-origin microbiota, Mycosphaerella, Aspergillus, and Alternaria participated in multiple metabolic pathways (gluconeogenesis I, sucrose degradation III, pentose phosphate pathway, 5-aminoimidazole ribonucleotide biosynthesis I, Me ketone biosynthesis, and GDP-mannose biosynthesis) at the early stage of incubation, which played an important role in the formation of flavors and succession of microbiota. This work highlighted the shifts and functionality of wheat-origin microbiota in Daqu incubation, which can be a guideline to stabilize Daqu quality by wheat-origin microbiota control.

Food Research International published new progress about Alcoholic beverages (Daqu). 87-73-0 belongs to class alcohols-buliding-blocks, and the molecular formula is C6H10O8, HPLC of Formula: 87-73-0.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Li, Ling; Zhang, Shiqi; Deng, Xiongfei; Li, Guangxun; Tang, Zhuo; Zhao, Gang published the artcile< Preparation and Application of α-Imino Ketones through One-Pot Tandem Reactions Based on Heyns Rearrangement>, Related Products of 5344-90-1, the main research area is amine hydroxyketone regioselective diastereoselective tandem Heyns rearrangement oxidation; imino ketone preparation; hydroxyketone aminoalc regioselective diastereoselective tandem Heyns rearrangement oxidation; ketal preparation.

A metal-free and operationally simple strategy was developed to generate α-imino ketones with high regioselectivity. Meanwhile, the method allowed for the preparation of various N,O-ketals with high regioselectivities and diastereoselectivities through cascade reactions in one pot.

Organic Letters published new progress about Amines Role: RCT (Reactant), RACT (Reactant or Reagent). 5344-90-1 belongs to class alcohols-buliding-blocks, and the molecular formula is C7H9NO, Related Products of 5344-90-1.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Tang, Shi; Ding, Shumin; Li, Dan; Li, Lianjie; Zhao, Haixia; Chai, Minxue; Wang, Jian published the artcile< Palladium-catalysed imidoylative spirocyclization of 3-(2-isocyanoethyl)indoles>, Recommanded Product: (2-Aminophenyl)methanol, the main research area is isocyanoalkyl indole organoiodide palladium catalyst tandem dearomative imidolylative spirocyclization; spiroindole azaarene preparation.

A palladium-catalyzed construction of spiroindolines through dearomative spirocyclization of 3-(2-isocyanoethyl)indoles was developed. 2′-Aryl-, vinyl-, and alkyl-substituted spiroindolines were accessed under mild conditions with excellent functional group tolerance. C1-tethered oxindole- and indole-spiroindoline bisheterocycles were generated in high yields via alkene/allene insertion and an imidoylative spirocyclization cascade. Addnl., a tandem dearomatization of two different indoles was realized with N-(2-bromobenzoyl)indoles as the electrophilic coupling partner of 3-(2-isocyanoethyl)indoles, affording polyindoline – spiroindoline bisheterocyclic scaffolds conveniently. Under the catalysis of Pd(OAc)2 and a spinol-derived phosphoramidite ligand, chiral spiroindolines were successfully accessed with up to 95% yield and 85% ee.

Chemical Communications (Cambridge, United Kingdom) published new progress about Aromatic amines Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 5344-90-1 belongs to class alcohols-buliding-blocks, and the molecular formula is C7H9NO, Recommanded Product: (2-Aminophenyl)methanol.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Abdullah, Fuad Othman; Behrouzi, Leila; Kaboudin, Babak published the artcile< A novel synthesis of highly stable palladium nanoparticles and their application in the reduction of nitroaromatic compounds>, Synthetic Route of 5344-90-1, the main research area is aristolochia olivieri extract stabilized palladium nanoparticle catalyst preparation; nitroarom compound palladium catalyst reduction; aromatic amine preparation green chem.

A mild and efficient method for synthesis of highly stable palladium nanoparticles (PdNPs) on Aristolochia Olivieri (AO) extract as a support and reducing agent was described. Investigation of catalytically activity of obtained catalyst (AO@PdNPs) was performed for the reduction of nitroarom. compounds Of note were the functional group tolerance, fast rate, and the ability to apply a scope of nitro compounds (up to 30). The synthesized catalyst was characterized with UV-visible spectra, FE-SEM, EDS, XRD, AAS, FT-IR, and TEM techniques. The corresponding amine product was obtained excellent to high yields. The catalytic activity of AO@PdNPs for the hydrogenation of 4-methyl-2-nitroaniline and 4-methoxy-2-nitroaniline was pursued by UV-visible spectroscopy which presented excellent activity of catalyst.

Materials Research Express published new progress about Aromatic amines Role: SPN (Synthetic Preparation), PREP (Preparation). 5344-90-1 belongs to class alcohols-buliding-blocks, and the molecular formula is C7H9NO, Synthetic Route of 5344-90-1.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Cummins, Daniel C.; Alvarado, Jessica G.; Zaragoza, Jan Paulo T.; Effendy Mubarak, Muhammad Qadri; Lin, Yen-Ting; de Visser, Sam P.; Goldberg, David P. published the artcile< Hydroxyl Transfer to Carbon Radicals by Mn(OH) vs Fe(OH) Corrole Complexes>, Safety of Triphenylmethanol, the main research area is manganese iron corrole complex hydroxyl transfer tertiary carbon radical.

The transfer of •OH from metal-hydroxo species to carbon radicals (R•) to give hydroxylated products (ROH) is a fundamental process in metal-mediated heme and nonheme C-H bond oxidations This step, often referred to as the hydroxyl “”rebound”” step, is typically very fast, making direct study of this process challenging if not impossible. In this report, we describe the reactions of the synthetic models M(OH)(ttppc) (M = Fe (1), Mn (3); ttppc = 5,10,15-tris(2,4,6-triphenyl)phenyl corrolato3-) with a series of triphenylmethyl carbon radical (R•) derivatives ((4-X-C6H4)3C•; X = OMe, tBu, Ph, Cl, CN) to give the one-electron reduced MIII(ttppc) complexes and ROH products. Rate constants for 3 for the different radicals ranged from 11.4(1) to 58.4(2) M-1 s-1, as compared to those for 1, which fall between 0.74(2) and 357(4) M-1 s-1. Linear correlations for Hammett and Marcus plots for both Mn and Fe were observed, and the small magnitudes of the slopes for both correlations imply a concerted •OH transfer reaction for both metals. Eyring analyses of reactions for 1 and 3 with (4-X-C6H4)3C• (X = tBu, CN) also give good linear correlations, and a comparison of the resulting activation parameters highlight the importance of entropy in these •OH transfer reactions. D. functional theory calculations of the reaction profiles show a concerted process with one transition state for all radicals investigated and help to explain the electronic features of the OH rebound process. Hydroxyl transfer is a critical step catalyzed by metallo-oxygenases. Rates of hydroxyl transfer for FeOH and MnOH heme analogs with tertiary carbon radical derivatives show that FeOH reactivity is more sensitive to the electronic structure of the substrate. Variable temperature kinetic anal. and DFT calculations indicate a highly ordered transition state and a significant role for entropy in the activation barriers.

Inorganic Chemistry published new progress about Activation enthalpy. 76-84-6 belongs to class alcohols-buliding-blocks, and the molecular formula is C19H16O, Safety of Triphenylmethanol.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Elorriaga, David; de la Cruz-Martinez, Felipe; Rodriguez-Alvarez, Maria Jesus; Lara-Sanchez, Agustin; Castro-Osma, Jose Antonio; Garcia-Alvarez, Joaquin published the artcile< Fast Addition of s-Block Organometallic Reagents to CO2-Derived Cyclic Carbonates at Room Temperature, Under Air, and in 2-Methyltetrahydrofuran>, Computed Properties of 76-84-6, the main research area is tertiary alc hydroxy ester ketone preparation green solvent methyltetrahydrofuran; organomagnesium lithium reagents cyclic carbonate addition ring opening; CO2; Grignard reagents; cyclic carbonates; green chemistry; organolithium compounds.

Fast addition of highly polar organometallic reagents (RMgX/RLi) to cyclic carbonates (derived from CO2 as a sustainable C1 synthon) has been studied in 2-methyltetrahydrofuran as a green reaction medium or in the absence of external volatile organic solvents, at room temperature, and in the presence of air/moisture. These reaction conditions are generally forbidden with these highly reactive main-group organometallic compounds The correct stoichiometry and nature of the polar organometallic alkylating or arylating reagent allows straightforward synthesis of highly substituted tertiary alcs., β-hydroxy esters, or sym. ketones, working always under air and at room temperature Finally, an unprecedented one-pot/two-step hybrid protocol is developed through combination of an Al-catalyzed cycloaddition of CO2 and propylene oxide with the concomitant fast addition of RLi reagents to the in situ and transiently formed cyclic carbonate, thus allowing indirect conversion of CO2 into the desired highly substituted tertiary alcs. without need for isolation or purification of any reaction intermediates.

ChemSusChem published new progress about Addition reaction. 76-84-6 belongs to class alcohols-buliding-blocks, and the molecular formula is C19H16O, Computed Properties of 76-84-6.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Putta, V. P. Rama Kishore; Vodnala, Nagaraju; Gujjarappa, Raghuram; Tyagi, Ujjawal; Garg, Aakriti; Gupta, Sreya; Pujar, Prasad Pralhad; Malakar, Chandi C. published the artcile< Reagent-Controlled Divergent Synthesis of 2-Amino-1,3-Benzoxazines and 2-Amino-1,3-Benzothiazines>, Computed Properties of 5344-90-1, the main research area is isothiocyanate aminobenzyl alc thiourea iodine chemoselective dehydrosulfurization cyclodehydration; benzoxazine one pot preparation; aminobenzyl alc isothiocyanate thiourea propylphosphonic anhydride chemoselective cyclodehydration; benzothiazine one pot preparation.

A reagent-controlled chemoselective process has been devised for the synthesis of 4H-1,3-benzoxazines and related biol. important heterocycles in high yields under mild conditions. These scaffolds could be efficiently constructed using two different chemoselective reactions that rely on the choice of reagents and reaction conditions. The treatment of various 2-amino-arylalkyl alcs. with isothiocyanates afforded thiourea intermediates, which were reacted in situ with mol. iodine in the presence of triethylamine to give 2-amino-4H-1,3-benzoxazines, whereas the corresponding 2-amino-4H-1,3-benzothiazines were obtained by the reaction of thiourea intermediates in the presence of T3P (a mild cyclodehydrating agent) and triethylamine as the base. The described protocol represents the first example for the synthesis of 4H-1,3-benzoxazines via the dehydrosulfurization method using mol. iodine as the reagent.

Journal of Organic Chemistry published new progress about Aralkyl alcohols Role: RCT (Reactant), RACT (Reactant or Reagent) (amino). 5344-90-1 belongs to class alcohols-buliding-blocks, and the molecular formula is C7H9NO, Computed Properties of 5344-90-1.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Margarita, Cristiana; Villo, Piret; Tunon, Hernando; Dalla-Santa, Oscar; Camaj, David; Carlsson, Robin; Lill, Malin; Ramstroem, Anja; Lundberg, Helena published the artcile< Zirconium-catalysed direct substitution of alcohols: enhancing the selectivity by kinetic analysis>, Category: alcohols-buliding-blocks, the main research area is ether preparation; alc substitution zirconium catalyst; thioether preparation; thiol alc substitution zirconium catalyst.

Kinetic anal. was used as a tool for rational optimization of a catalytic, direct substitution of alcs. to enable the selective formation of unsym. ethers, thioethers, and Friedel-Crafts alkylation products using a moisture-tolerant and com. available zirconium complex (2 to 8 mol%). Operating in air and in the absence of dehydration techniques, the protocol furnished a variety of products in high yields, including glycosylated alcs. and sterically hindered ethers. In addition, the kinetic studies provided mechanistic insight into the network of parallel transformations that take place in the reaction, and helped to elucidate the nature of the operating catalyst.

Catalysis Science & Technology published new progress about Alcohols Role: RCT (Reactant), RACT (Reactant or Reagent). 76-84-6 belongs to class alcohols-buliding-blocks, and the molecular formula is C19H16O, Category: alcohols-buliding-blocks.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Malekzadeh, Parisa; Cowan, Kenneth; Steinberg, Seth M.; Camphausen, Kevin A.; Shriver, Craig; Merino, Maria J.; Good, Meghan L.; Berman, Arlene; Danforth, David N. Jr published the artcile< Twenty-five-Year Follow-up of a Prospective Randomized Trial Comparing Preoperative Versus Postoperative FLAC/Granulocyte Colony-Stimulating Factor Chemotherapy for Stage II Breast Cancer>, Related Products of 1492-18-8, the main research area is breast cancer stimulating factor chemotherapy.

Patients and methods: We conducted a single-institution prospective randomized control trial comparing preoperative or postoperative fluorouracil, leucovorin calcium, doxorubicin, and cyclophosphamides/granulocyte colony-stimulating factor chemotherapy for women with untreated clin. stage II breast cancer. Long-term follow-up was conducted to define toxicities, recurrence patterns and RFS and OS. Results: Fifty-three women with clin. stage II breast cancer were randomized, 26 patients to receive preoperative chemotherapy and 27 to receive postoperative chemotherapy. Long-term follow-up, with a median of 25.3 years, was obtained. Local or systemic recurrence occurred in 8 women in the preoperative group and in 10 women in the postoperative group, and recurrences were predominantly within 10 years of treatment. Late toxicities included local upper extremity paresthesia’s, upper extremity edema and congestive heart failure in 1 patient each. Anal. revealed no difference in RFS (20-yr RFS probabilities; preoperative: 61.3%, postoperative: 54.7%, P=0.42), or in OS between the 2 treatment groups (20-yr probabilities, preoperative: 64.6%, postoperative: 62.2%, P=0.44). Twenty-five of 53 patients (47%) were alive and without disease at this follow-up.

American Journal of Clinical Oncology published new progress about Chemotherapy. 1492-18-8 belongs to class alcohols-buliding-blocks, and the molecular formula is C20H21CaN7O7, Related Products of 1492-18-8.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts