Day: November 15, 2022

Zeng, Fan-Lin published the artcileVisible light-induced recyclable g-C3N4 catalyzed thiocyanation of C(sp2)-H bonds in sustainable solvents, Formula: C8H11NO, the main research area is arene ammonium thiocyanate carbon nitride catalyst thiocyanation green chem; aryl thiocyanate preparation.

A metal-free photocatalytic strategy for the preparation of thiocyanated heterocycles from inexpensive NH4SCN was developed using carbon nitride (g-C3N4) as a general heterogeneous catalyst in a green solvent under an air atm. and the irradiation of a blue LED. Various thiocyanated heterocycles including indolo[2,1-a]isoquinolin-6(5H)-ones, benzimidazo[2,1-a]isoquinolin-6(5H)-ones, thioflavones, azaspiro[4.5]trienones and imidazo[1,2-a]pyridines were successfully synthesized in good yields (up to 96%). Importantly, this metal-free and external-oxidant-free procedure employed di-Me carbonate as a green medium, avoiding the traditional volatile organic solvents. Moreover, the recyclable g-C3N4 catalyst was used at least 8 times without significant loss of activities.

Green Chemistry published new progress about Alkynyl ketones Role: RCT (Reactant), RACT (Reactant or Reagent). 5961-59-1 belongs to class isoquinoline, name is 4-Methoxy-N-methylaniline, and the molecular formula is C8H11NO, Formula: C8H11NO.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Kwon, Jungmin published the artcileSynthesis of Arenesulfonyl Fluorides via Sulfuryl Fluoride Incorporation from Arynes, Recommanded Product: 4-Methoxy-N-methylaniline, the main research area is arenesulfonyl fluoride preparation; sulfuryl fluoride multicomponent reaction aryne amine; zwitterionic intermediate.

Transition-metal-free multicomponent reactions involving aryne precursors, secondary amines, and sulfuryl fluoride are reported herein. Zwitterionic intermediates formed from the reaction of arynes with amine nucleophiles can capture SO2F2 under mild conditions, offering a novel and practical protocol for the synthesis of 2-dialkyl-, 2-alkylaryl-, or 2-diarylamino-substituted arenesulfonyl fluoride derivatives in good to excellent yields.

Organic Letters published new progress about Alkynes, arynes Role: RCT (Reactant), RACT (Reactant or Reagent). 5961-59-1 belongs to class isoquinoline, name is 4-Methoxy-N-methylaniline, and the molecular formula is C8H11NO, Recommanded Product: 4-Methoxy-N-methylaniline.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Nguyen, Khang X. published the artcileSulfur-Mediated Decarboxylative Coupling of 2-Nitrobenzyl Alcohols and Arylacetic Acids, Safety of 4-Methoxyphenylacetic acid, the main research area is nitro benzylalc arylacetic acid sulfur mediated decarboxylative coupling; aryl quinazoline.

A new method for the synthesis of substituted quinazolines by the condensation of 2-nitrobenzyl alcs. with arylacetic acids. The transformation requires the use of urea as a nitrogen source, elemental sulfur as a promoter, DABCO as a base and DMSO as a solvent. Functionalities such as chloro, fluoro, trifluoromethyl, thienyl and indolyl groups were all compatible with the reaction conditions. Because this method uses stable simple substrates to obtain the N,N-heterocycles in the absence of transition metals, it offers a potential pathway for preparing complex structures under mild conditions.

Synlett published new progress about Aliphatic acids Role: RCT (Reactant), RACT (Reactant or Reagent). 104-01-8 belongs to class isoquinoline, name is 4-Methoxyphenylacetic acid, and the molecular formula is C9H10O3, Safety of 4-Methoxyphenylacetic acid.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Shen, Hui published the artcileSynthesis of 3-substituted 2-oxindoles from secondary α-bromo-propionanilides via palladium-catalyzed intramolecular cyclization, Recommanded Product: 4-Methoxy-N-methylaniline, the main research area is bromo phenylalkanamide palladium catalyst heterocyclization; alkyloxindole preparation.

A palladium-catalyzed intramol. cyclization of α-bromo-propionanilides was developed, delivering a series of 3-substituted 2-oxindoles in high yields. The method features easy to prepare starting materials, broad substrate scope and excellent functional group tolerance. A detailed mechanistic investigation was performed.

Organic & Biomolecular Chemistry published new progress about Aliphatic acids Role: RCT (Reactant), RACT (Reactant or Reagent). 5961-59-1 belongs to class isoquinoline, name is 4-Methoxy-N-methylaniline, and the molecular formula is C8H11NO, Recommanded Product: 4-Methoxy-N-methylaniline.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Wang, Gang published the artcileCatalytic enantioselective oxidative coupling of saturated ethers with carboxylic acid derivatives, Synthetic Route of 104-01-8, the main research area is ether azolidinyl alkanone preparation regioselective enantioselective cross dehydrogenative coupling.

A formal catalytic enantioselective cross-dehydrogenative coupling of saturated ethers with diverse carboxylic acid derivatives involving an initial oxidative acetal formation, followed by nickel(II)-catalyzed asym. alkylation. The one-pot, general and modular method exhibited wide compatibility of a broad range of saturated ethers not only including prevalent THF and tetrahydropyran but also including medium- and large-sized cyclic moieties and acyclic ones with excellent enantioselectivity and functional group tolerance. The application in the rapid preparation of biol. active mols. that are difficult to access with existing methods was also demonstrated.

Nature Communications published new progress about Aliphatic acids Role: RCT (Reactant), RACT (Reactant or Reagent). 104-01-8 belongs to class isoquinoline, name is 4-Methoxyphenylacetic acid, and the molecular formula is C9H10O3, Synthetic Route of 104-01-8.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Kamitanaka, Tohru published the artcile[3+2] Coupling of Quinone Monoacetals with Vinyl Ethers Effected by Tetrabutylammonium Triflate: Regiocontrolled Synthesis of 2-Oxygenated Dihydrobenzofurans, Name: 1,3-Dimethoxybenzene, the main research area is dihydrobenzofuran preparation diastereoselective regioselective; quinone monoacetal vinyl ether coupling tetrabutylammonium triflate catalyst.

The synthesis of 2-oxygenated dihydrobenzofurans I (R = H, Me, t-Bu, OMe, NHAc; R1 = H, Me, t-Bu; R2 = Me, Et; R3 = H, OMe; X = -CH2-, -O-; n = 0, 1), II (R4 = Et, i-Pr; R5 = H, Me) involving the [3+2] coupling of quinone monoacetals III with vinyl ethers IV has been realized by tetrabutylammonium triflate catalysis. The reaction involves a new activation method of the acetal moiety in quinone monoacetals III under acid-free conditions affording the highly oxygenated dihydrobenzofurans I, II. This new activation mode was achieved by using the triflate anion catalyst for stabilization of the highly reactive cationic intermediate.

Organic Letters published new progress about [3+2] Cycloaddition reaction catalysts (regio-, stereoselective). 151-10-0 belongs to class isoquinoline, name is 1,3-Dimethoxybenzene, and the molecular formula is C8H10O2, Name: 1,3-Dimethoxybenzene.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Gunturi, S. B. published the artcilePrediction of skin sensitization potential using D-optimal design and GA-kNN classification methods, Safety of 5-Methyl-2-phenylhex-2-enal, the main research area is computational model skin sensitization D optimal design GA kNN.

Modeling of skin sensitization data of 255 diverse compounds and 450 calculated descriptors was performed to develop global predictive classification models that are applicable to whole chem. space. With this aim, we employed two automated procedures, (a) D-optimal design to select optimal members of the training and test sets and (b) k-Nearest Neighbor classification (kNN) method along with Genetic Algorithms (GA-kNN Classification) to select significant and independent descriptors in order to build the models. This methodol. helped us to derive multiple models, M1-M5, that are stable and robust. The best among them, model M1 (CCRtrain = 84.3%, CCRtest = 87.2% and CCRext = 80.4%), is based on six neighbors and nine descriptors and further suggests that: (a) it is stable and robust and performs better than the reported models in literature, and (b) the combination of D-optimal design and GA-kNN classification approach is a very promising approach. Consensus prediction based on the models M1-M5 improved the CCR of training, test and external validation datasets by 3.8%, 4.45% and 3.85%, resp., over M1. From the anal. of the phys. meaning of the selected descriptors, it is inferred that the skin sensitization potential of small organic compounds can be accurately predicted using calculated descriptors that code for the following fundamental properties: (i) lipophilicity, (ii) at. polarizability, (iii) shape, (iii) electrostatic interactions, and (iv) chem. reactivity.

SAR and QSAR in Environmental Research published new progress about Genetic algorithm (GA-kNN (genetic algorithm-k-nearest neighbor)). 21834-92-4 belongs to class isoquinoline, name is 5-Methyl-2-phenylhex-2-enal, and the molecular formula is C13H16O, Safety of 5-Methyl-2-phenylhex-2-enal.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Varaprasad, Bodala published the artcileCopper-catalyzed efficient access to 2,4,6-triphenyl pyridines via oxidative decarboxylative coupling of aryl acetic acids with oxime acetates, Safety of 4-Methoxyphenylacetic acid, the main research area is triphenyl pyridine preparation; aryl acetic acid oxime acetate oxidative decarboxylative coupling copper.

An efficient and concise approach for the synthesis of 2,4,6-tri-Ph pyridines has been developed through copper-catalyzed oxidative decarboxylative coupling of C(sp3) aryl acetic acids with oxime acetates in DMF at 150° under an oxygen atm. Various functional groups were well tolerated and provided the corresponding 2,4,6-tri-Ph pyridines in good to excellent yields.

New Journal of Chemistry published new progress about Carboxylic acids Role: RCT (Reactant), RACT (Reactant or Reagent). 104-01-8 belongs to class isoquinoline, name is 4-Methoxyphenylacetic acid, and the molecular formula is C9H10O3, Safety of 4-Methoxyphenylacetic acid.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

M. L., Chenna Reddy published the artcileFacile synthesis of N-1,2,4-oxadiazole substituted sulfoximines from N-cyano sulfoximines, Application of 4-Methoxyphenylacetic acid, the main research area is synthesis oxadiazole sulfoximine; cyano sulfoximine carboxylic acid cyclization.

A divergent approach has been successfully developed for synthesis of N-1,2,4-oxadiazole substituted sulfoximines starting from N-cyano sulfoximines. This method has a wide degree of substrate scope that includes aryl, heteroaryl, alkyl, fluoroalkyl and saturated heterocyclic compounds Excellent functional group tolerability was also observed Extension of this methodol. to nucleosides, amino acids and dipeptides was found to be successful. A gram scale reaction was also established. The major part of this method is metal free and the utility of environmentally friendly solvents such as 2-Me THF and ionic liquids is an added advantage.

Organic & Biomolecular Chemistry published new progress about Carboxylic acids Role: RCT (Reactant), RACT (Reactant or Reagent). 104-01-8 belongs to class isoquinoline, name is 4-Methoxyphenylacetic acid, and the molecular formula is C9H10O3, Application of 4-Methoxyphenylacetic acid.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Guo, Yu published the artcilePhotoinduced Decarboxylative Phosphorothiolation of N-Hydroxyphthalimide Esters, Computed Properties of 104-01-8, the main research area is photoinduced decarboxylative phosphorothiolation hydroxyphthalimide ester green mechanism; phosphorothioate preparation green chem steric effect photoinduced.

A visible-light-induced protocol for the synthesis of phosphorothioates is developed by employing the Ir-catalyzed decarboxylative phosphorothiolation of N-hydroxyphthalimide esters. This novel synthesis method utilizes carboxylic acids as raw material, which is stable, cheap, and com. available. Scope studies show that this reaction has good compatibility of functional groups. Notably, both the synthesis of steric hindrance phosphorothioates and the later modification of some bioactive compounds are successfully achieved.

Organic Letters published new progress about Carboxylic acids Role: RCT (Reactant), RACT (Reactant or Reagent). 104-01-8 belongs to class isoquinoline, name is 4-Methoxyphenylacetic acid, and the molecular formula is C9H10O3, Computed Properties of 104-01-8.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem