Month: October 2022

Chakrabarti, Kaushik; Dutta, Kuheli; Kundu, Sabuj published the artcile< Synthesis of N-methylated amines from acyl azides using methanol>, Safety of 2-Methoxy-N-methylaniline, the main research area is methylated amine preparation acyl azide methanol Curtius rearrangement.

The transformation of acyl azide derivatives into N-methylamines was developed using methanol as the C1 source via the one-pot Curtius rearrangement and borrowing hydrogen methodol. Following this protocol, various functionalized N-methylated amines were synthesized using the (NNN)Ru(II) complex from carboxylic acids via an acyl azide intermediate. Several kinetic studies and DFT calculations were carried out to support the mechanism and also to determine the role of the Ru(II) complex and base in this transformation.

Organic & Biomolecular Chemistry published new progress about Acyl azides Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 10541-78-3 belongs to class ethers-buliding-blocks, and the molecular formula is C8H11NO, Safety of 2-Methoxy-N-methylaniline.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Chen, Yuan; Chen, Yu-Jue; Guan, Zhi; He, Yan-Hong published the artcile< Visible-light-mediated selective thiocyanation/ipso-cyclization/oxidation cascade for the synthesis of thiocyanato-containing azaspirotrienediones>, Formula: C8H11NO, the main research area is thiocyanatoazaspirotrienedione preparation; Nphenylpropynamide ammonium thiocyanate thiocyanation ipso cyclization oxidation.

A visible-light-mediated metal-free thiocyanate radical addition/ipso-cyclization/oxidation cascade reaction for the synthesis of thiocyanato-containing azaspirotrienediones from N-phenylpropynamides is described. Cheap and readily available ammonium thiocyanate was used as a precursor to the thiocyanate free radical, which undergoes a radical addition reaction with the alkyne, followed by selective ipso-cyclization and oxidation to afford the dearomatized products. No product of ortho-cyclization was detected. The reaction completes the synthesis of C-S, C-C, and C=O bonds in one pot, with abundant and renewable air oxygen as the sole sacrificial reagent and oxygen source.

Tetrahedron published new progress about Aralkyl amines Role: RCT (Reactant), RACT (Reactant or Reagent). 10541-78-3 belongs to class ethers-buliding-blocks, and the molecular formula is C8H11NO, Formula: C8H11NO.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Xia, Aiyou; Lv, Peizhuo; Xie, Xin; Liu, Yuanhong published the artcile< Nickel-Catalyzed Cyanation of Unactivated Alkyl Sulfonates with Zn(CN)2>, HPLC of Formula: 52244-70-9, the main research area is nickel catalyst cyanation unactivated alkyl sulfonate zinc cyanide; alkyl nitrile preparation.

Cyanation of unactivated primary and secondary alkyl mesylates with Zn(CN)2 catalyzed by nickel has been developed. The reaction provides an efficient route for the synthesis of alkyl nitriles with wide substrate scope, good functional group tolerance, and compatibility with heterocyclic compounds Mechanistic studies indicate that alkyl iodide generated in situ serves as the reactive intermediate and the gradual release of alkyl iodide is crucial for the success of the reaction.

Organic Letters published new progress about Alkanesulfonates Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 52244-70-9 belongs to class ethers-buliding-blocks, and the molecular formula is C11H16O2, HPLC of Formula: 52244-70-9.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Satish, Sohal; Chitral, Rohan; Kori, Amitkumar; Sharma, Basantkumar; Puttur, Jayashree; Khan, Afreen A.; Desle, Deepali; Raikuvar, Kavita; Korkegian, Aaron; Martis, Elvis A. F.; Iyer, Krishna R.; Coutinho, Evans C.; Parish, Tanya; Nandan, Santosh published the artcile< Design, synthesis and SAR of antitubercular benzylpiperazine ureas>, Name: 3-Methoxy-2-methylbenzaldehyde, the main research area is piperazine carboxamide preparation tuberculostatic SAR antibacterial antitumor docking; Antitubercular; Benzylpiperazine ureas; Lead compounds; QcrB inhibitors.

N-furfuryl piperazine ureas disclosed by scientists at GSK Tres Cantos were chosen as antimycobacterial hits from a phenotypic whole-cell screen. Bioisosteric replacement of the furan ring in the GSK Tres Cantos mols. with a Ph ring led to mol. I with an MIC of 1μM against Mtb H37Rv, low cellular toxicity (HepG2 IC50 ∼ 80μM), good DMPK properties and specificity for Mtb. With the aim of delineating the SAR associated with compound I, fifty-five analogs were synthesized and screened against Mtb. The SAR suggested that the piperazine ring, benzyl urea and piperonyl moieties were essential signatures of this series. Active compounds in this series were metabolically stable, have low cellular toxicity and were valuable leads for optimization. Mol. docking suggests these mols. occupy the Q0 site of QcrB like Q203.

Molecular Diversity published new progress about Aldehydes Role: RCT (Reactant), RACT (Reactant or Reagent). 56724-03-9 belongs to class ethers-buliding-blocks, and the molecular formula is C9H10O2, Name: 3-Methoxy-2-methylbenzaldehyde.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Fujio, Mizue; Taguchi, Miyako; Wada, Yoshiko; Seki, Yoji; Mishima, Masaaki; Tsuno, Yuho published the artcile< Carbon-13 NMR studies on reaction mechanisms. IV. Solvolysis of 4-aryl-n-butyl brosylates>, Reference of 52244-70-9, the main research area is solvolysis phenylbutyl brosylate kinetics; carbon NMR solvolysis kinetics; anchimeric assistance solvolysis kinetics.

The solvolysis of methoxy-substituted 4-phenylbutyl-1-13C (90% enriched) brosylate gave both open-chain ester products and isomeric products (e.g., 6- or 7-methoxytetralin-1-13C) via anchimerically-assisted pathways. The 13C NMR tracer technique was applied to the solvolysis mechanism and kinetics. Suitably positioned MeO groups accelerated the anchimerically assisted route. Transition states for the assisted pathways were discussed.

Memoirs of the Faculty of Science, Kyushu University, Series C: Chemistry published new progress about Acetolysis. 52244-70-9 belongs to class ethers-buliding-blocks, and the molecular formula is C11H16O2, Reference of 52244-70-9.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Yoon, Hyunjee; Shin, Seoyoon; Park, Sooyeol; Shin, Moo Whan published the artcile< Low-viscosity quaternary ammonium-based ionic liquid electrolytes for lithium air batteries>, Category: ethers-buliding-blocks, the main research area is ammonium ionic liquid electrolyte lithium air battery viscosity.

Ionic liquids (ILs) have attracted significant attention as candidates for Li-air battery electrolyte solvents owing to their novel properties, such as non-volatility and low reactivity with lithium metal anodes. However, the main drawback of IL-based electrolytes is their high viscosity, which results in poor battery capacity and conductivity In this study, we synthesized low-viscosity ILs with reduced mol. weights using the side-chain shortening method. In particular, the IL: tri-Me ethoxymethyl ammonium bis(fluoromethylsulfonyl)imide (N111(1O2) FSI), has a lower viscosity (111.4 cP) than that of the electrochem. stable reference material, diethylmethyl (2-methoxyethyl) ammonium bis(fluoromethylsulfonyl)imide (DEME FSI; viscosity of 131.1cP). The use of the optimal IL, N111(1O2) FSI, resulted in an initial capacity 3.75 times higher than that obtained using DEME FSI in the cell test. The chem. stability of N111(1O2) FSI with lithium metal was confirmed by microstructure anal. of the lithium surface. The physicochem. properties, such as viscosity, ionic conductivity, m.p., and electrochem. properties, were thoroughly characterized.

Journal of Molecular Liquids published new progress about Electric current-potential relationship. 6482-24-2 belongs to class ethers-buliding-blocks, and the molecular formula is C3H7BrO, Category: ethers-buliding-blocks.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Zhang, Tao; Luan, Yu-Xin; Lam, Nelson Y. S.; Li, Jiang-Fei; Li, Yue; Ye, Mengchun; Yu, Jin-Quan published the artcile< A directive Ni catalyst overrides conventional site selectivity in pyridine C-H alkenylation>, Category: ethers-buliding-blocks, the main research area is alkenylated pyridine preparation; alkyne pyridine alkenylation heterocyclic carbene ligated nickel aluminum catalyst.

Herein, application of bifunctional N-heterocyclic carbene-ligated Ni-Al catalyst in C3-H alkenylation of pyridines was described. This method overrode the intrinsic C2 and/or C4 selectivity, and provided a series of C3-alkenylated pyridines such as I in 43-99% yields and up to 98:2 C3 selectivity. This method not only allowed a variety of pyridine and heteroarene substrates to be used as the limiting reagent, but was also effective for the late-stage C3 alkenylation of diverse complex pyridine motifs in bioactive mols.

Nature Chemistry published new progress about Alcohols Role: RCT (Reactant), RACT (Reactant or Reagent). 6482-24-2 belongs to class ethers-buliding-blocks, and the molecular formula is C3H7BrO, Category: ethers-buliding-blocks.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Xue, Yu; Vughs, Dennis; Hater, Wolfgang; Huiting, Hans; Vanoppen, Marjolein; Cornelissen, Emile; Verliefde, Arne; Brunner, Andrea M. published the artcile< Liquid chromatography-high-resolution mass spectrometry-based target and nontarget screening methods to characterize film-forming amine-treated steam-water systems>, Product Details of C17H37NO2, the main research area is liquid chromatog high resolution mass spectrometry target nontarget screening; screening film forming amine treated steam water systems.

Film-forming amine products (FFAP) are frequently used as corrosion inhibitors in steam-water systems. To have a better understanding of their behavior in the treated system, a liquid chromatog. coupled to the high-resolution mass spectrometry (LC-HRMS) method was developed. This method enabled the concurrent targeted quant. anal. of the film-forming amine oleyl propylenediamine (OLDA) and the nontarget screening (NTS)-based anal. of potential degradation products of FFAP or other organic matter in the system. The method was applied to samples collected from an FFAP-treated industrial steam-water system. OLDA was detected at a concentration of 0.027 mg/L after the FFAP dosing in the low-pressure steam drum. A feature (a combination of mass-to-charge ratio and retention time associated with a signal intensity) prioritization workflow was designed and applied to the NTS results to focus on the potential thermal degradation products of FFAP that could affect the studied steam-water system. Six features were prioritized from a total of 4596 detected features. Structural elucidation of these features was attempted based on mass spectrometry fragmentation data. One of the prioritized features was successfully identified as 2,2′-(tridecylimino)diethanol, presumably a degradation product of the FFAP emulsifier. Because of the chem. structure of the mol., 2,2′-(tridecylimino)diethanol was considered as noncorrosive to the system. Overall, the developed LC-HRMS method facilitated the efficient anal. of OLDA with a limit of quantification of 0.002 mg/L and a comprehensive monitoring of organic matter across the steam-water system, including potential degradation products of the dosed FFAP.

Industrial & Engineering Chemistry Research published new progress about Boiler waters. 18312-57-7 belongs to class ethers-buliding-blocks, and the molecular formula is C17H37NO2, Product Details of C17H37NO2.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Reddy, Reddy Rajasekhar; Gudup, Satish Sonbarao; Ghorai, Prasanta published the artcile< Organocatalytic, Enantioselective Synthesis of Cyclohexadienone Containing Hindered Spirocyclic Ethers through an Oxidative Dearomatization/Oxa-Michael Addition Sequence>, Electric Literature of 52244-70-9, the main research area is cyclohexadienone enantioselective preparation spirocyclic ether oxidative dearomatization oxa Michael; asymmetric synthesis; chromans; organocatalysis; oxa-Michael addition; tetrahydrofurans.

An unprecedented enantioselective oxa-Michael reaction of α-tertiary alcs. using cinchona-alkaloid-based chiral bifunctional squaramide catalysts is reported. An oxidative dearomatization of phenol followed by an enantioselective oxa-Michael addition sequence provided a broad array of chiral sterically hindered tetrahydrofurans and tetrahydropyrans attached to a cyclohexadienone moiety in spiro fashion. In general, good yields and excellent enantioselectivities (up to 99 %) were observed The chiral oxo-cycles obtained have easily been transformed into chromans without disturbing the enantioselectivity.

Angewandte Chemie, International Edition published new progress about Dearomatization (oxidative). 52244-70-9 belongs to class ethers-buliding-blocks, and the molecular formula is C11H16O2, Electric Literature of 52244-70-9.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Lu, Biao; Cao, Hu; Cao, Jingsong; Huang, Song; Hu, Qiyue; Liu, Dong; Shen, Ru; Shen, Xiaodong; Tao, Weikang; Wan, Hong; Wang, Dan; Yan, Yinfa; Yang, Liuqing; Zhang, Jiayin; Zhang, Lei; Zhang, Lianshan; Zhang, Minsheng published the artcile< Discovery of EBI-907: A highly potent and orally active B-RafV600E inhibitor for the treatment of melanoma and associated cancers>, Product Details of C8H9BrO2, the main research area is pyrazolo isoquinoline derivative preparation oral BRaf inhibitor cancer structure; B-Raf(V600E); Cancer; Kinase; Pyrazolo[3,4-c]isoquinoline; Scaffold hopping.

A novel series of pyrazolo[3,4-c]isoquinoline derivatives was discovered as B-RafV600E inhibitors through scaffold hopping based on a literature lead PLX4720. Further SAR exploration and optimization led to the discovery of potent B-RafV600E inhibitors with good oral bioavailability in rats and dogs. One of the compounds EBI-907 (13g) demonstrated excellent in vivo efficacy in B-RafV600E dependent Colo-205 tumor xenograft models in mouse and is under preclin. studies for the treatment of melanoma and B-RafV600E associated cancers.

Bioorganic & Medicinal Chemistry Letters published new progress about Antitumor agents. 17100-64-0 belongs to class ethers-buliding-blocks, and the molecular formula is C8H9BrO2, Product Details of C8H9BrO2.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem