Author: Jessica.F

Dey, Purusattam; Jana, Sayan K.; Rai, Pramod; Maji, Biplab published the artcile< Dicarbofunctionalizations of an Unactivated Alkene via Photoredox/Nickel Dual Catalysis>, SDS of cas: 167479-01-8, the main research area is unactivated alkene dicarbofunctionalization photoredox nickel dual catalysis.

1,2-Dicarbofunctionalization of unactivated olefin has been reported under photoredox/nickel dual catalysis. The mildness of the visible-light-mediated reaction allows the use of various alkyl and aryl electrophiles with several sensitive functional groups. The protocol was equally applied for late-stage diversification of drugs and biol. active mols. Investigations elucidated the importance of photoredox/nickel dual catalysis and α-amino-radical-mediated halogen atom transfer and provided with the nickel complexes involved in the reaction.

Organic Letters published new progress about Alkenes Role: RCT (Reactant), RACT (Reactant or Reagent). 167479-01-8 belongs to class iodides-buliding-blocks, and the molecular formula is C8H16INO2, SDS of cas: 167479-01-8.

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Bennett, Frank; Kezar, Hollis S.; Girijavallabhan, Vinay; Huang, Yuhua; Huelgas, Regina; Rossman, Randall; Shih, Neng-Yang; Piwinski, John J.; MacCoss, Malcolm; Kwong, Cecil D.; Clark, Jeremy L.; Fowler, Anita T.; Geng, Feng; Roychowdhury, Abhijit; Reynolds, Robert C.; Maddry, Joseph A.; Ananthan, Subramaniam; Secrist, John A.; Li, Cheng; Chase, Robert; Curry, Stephanie; Huang, Hsueh-Cheng; Tong, Xiao; George Njoroge, F.; Arasappan, Ashok published the artcile< Pyridofuran substituted pyrimidine derivatives as HCV replication (replicase) inhibitors>, Application In Synthesis of 188057-20-7, the main research area is regioselective alkylation carbocyclic nucleoside preparation antiviral structure activity; pyridofuran pyrimidine nucleoside preparation antiviral replicase inhibitor HCV benzofuran.

Introduction of nitrogen atom into the benzene ring of a previously identified HCV replication (replicase) benzofuran inhibitor I (X = CH), resulted in the discovery of the more potent pyridofuran analog I (X = N). Subsequent introduction of small alkyl and alkoxy ligands into the pyridine ring resulted in further improvements in replicon potency. Replacement of the 4-chloro moiety on the pyrimidine core with a Me group, and concomitant mono-alkylation of the C-2 amino moiety resulted in the identification of several inhibitors with desirable characteristics. Nucleoside inhibitor II (R = CF3, R1 = Et, R2 = H; R = cyclopropyl, R1 = OEt, R2 = Me), from the mono-substituted pyridofuran and inhibitor 50 from the disubstituted series displayed excellent potency, selectivity (GAPDH/MTS CC50) and PK parameters in all species studied, while the selectivity in the thymidine incorporation assay (DNA·CC50) was low.

Bioorganic & Medicinal Chemistry Letters published new progress about Antiviral agents. 188057-20-7 belongs to class iodides-buliding-blocks, and the molecular formula is C5H4INO, Application In Synthesis of 188057-20-7.

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Rausis, Thierry; Schlosser, Manfred published the artcile< The basicity gradient-driven migration of iodine: conferring regioflexibility on the substitution of fluoroarenes>, Recommanded Product: 1,4-Difluoro-2-iodobenzene, the main research area is benzoic acid fluoro iodo preparation; naphthalenecarboxylic acid fluoro iodo preparation; benzene fluoro iodo preparation; naphthalene fluoro iodo preparation; fluorobenzene lithiation iodination carboxylation; migration basicity iodine fluoroarene; rearrangement lithiation iodine fluoroarene; fluorobenzoic acid iodo preparation; fluoronaphthalenecarboxylic iodo preparation; fluoroiodobenzene lithiation carboxylation rearrangement.

Six different fluoroarenes were submitted to the same transformations. Direct deprotonation with alkyllithium or lithium dialkylamide as reagents and subsequent carboxylation afforded acids. These included 2,6-difluorobenzoic acid, 3,6-difluoro-2-iodobenzoic acid, 2-fluoro-6-iodobenzoic acid, 2-fluoro-3-iodobenzoic acid, 2,3-difluoro-4-iodobenzoic acid and 1-fluoro-2-naphthalenecarboxylic acid. If the aryllithium intermediate was trapped with iodine rather than with dry ice, an iodofluoroarene (2, 7, 12, 17, 19, and 24) was formed. Iodoarenes included 1,3-difluoro-2-iodobenzene, 1,4-difluoro-2,3-diiodobenzene, 1-fluoro-2,3-diiodobenzene, 2-fluoro-1,3-diiodobenzene, 2,3-difluoro-1,4-diiodobenzene, and 1-fluoro-2-iodonaphthalene. These, upon treatment with lithium diisopropylamide, underwent deprotonation and iodine migration. The resulting new aryllithium species was intercepted either by carboxylation, to give 2,6-difluoro-3-iodobenzoic acid, 2,5-difluoro-3,6-diiodobenzoic acid, 2-fluoro-3,6-diiodobenzoic acid, 2,3-difluoro-4,6-diiodobenzoic acid, and 1-fluoro-3-iodo-2-naphthalenecarboxylic acid, or by neutralization to produce the iodofluoroarenes which included 2,4-difluoro-1-iodobenzene, 1,4-difluoro-2,5-diiodobenzene, 2-fluoro-1,4-diiodobenzene, 1-fluoro-3-iodonaphthalene. The latter family of compounds was converted into another set of acids, which included 2,4-difluorobenzoic acid, 2,5-difluoro-4-iodobenzoic acid, 1-fluoro-3-naphthalenecarboxylic acid, by subsequent treatment with butyllithium or isopropylmagnesium chloride and carbon dioxide.

European Journal of Organic Chemistry published new progress about Aromatic hydrocarbons Role: SPN (Synthetic Preparation), PREP (Preparation) (fluoroiodo). 2265-92-1 belongs to class iodides-buliding-blocks, and the molecular formula is C6H3F2I, Recommanded Product: 1,4-Difluoro-2-iodobenzene.

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Durka, Krzysztof; Lulinski, Sergiusz; Serwatowski, Janusz; Wozniak, Krzysztof published the artcile< Influence of Fluorination and Boronic Group Synergy on the Acidity and Structural Behavior of o-Phenylenediboronic Acids>, Application of C6H3F2I, the main research area is crystal mol structure phenyldiboronic acid fluorinated preparation acidity dehydration.

The solid-state and solution structural properties and acidity of fluorinated 1,2-phenylenediboronic acids were studied. Solution NMR studies indicate that these compounds equilibrate with their dehydrated forms, in the simplest case presumably possessing the cyclic benzoxadiborole structure. Ab initio calculations showed that the stability of such cyclic semianhydrides is improved by fluorination of the aromatic ring and complexation of one of the B centers with H2O. This was demonstrated by the crystal structure determination of tetrafluoro-1,2-phenylenediboronic acid. The coordinated H2O mol. participates in very strong intermol. H bonding with the OH group bonded to the four-coordinate B center (dO···O = 2.423(2) Å, Eint = -87 kJ mol-1). In fact this compound is an oxonium, i.e., Bronsted acid, which is exceptional for boronic acids. Under different crystallization conditions, tetrafluoro-1,2-phenylenediboronic acid dimerizes by aggregation of boronic groups, which gives an uncommon eight-membered B4O4 ring. Such a coordination dimer exists as the boat conformer, featuring π-π interactions of fluorinated aromatic rings. The enhanced acidity of 1,2-phenylenediboronic acids can be rationalized in terms of a synergic effect of two adjacent boronic groups and is manifested by relatively low pKa values ranging from 6.0 (1,2-phenylenediboronic acid) to only 3.0 for the perfluorinated derivative

Organometallics published new progress about Boronic acids Role: PEP (Physical, Engineering or Chemical Process), PRP (Properties), RCT (Reactant), SPN (Synthetic Preparation), PROC (Process), RACT (Reactant or Reagent), PREP (Preparation) (phenylboronic acids). 2265-92-1 belongs to class iodides-buliding-blocks, and the molecular formula is C6H3F2I, Application of C6H3F2I.

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Le, Thuy G.; Kundu, Abhijit; Ghoshal, Atanu; Nguyen, Nghi H.; Preston, Sarah; Jiao, Yaqing; Ruan, Banfeng; Xue, Lian; Huang, Fei; Keiser, Jennifer; Hofmann, Andreas; Chang, Bill C. H.; Garcia-Bustos, Jose; Wells, Timothy N. C.; Palmer, Michael J.; Jabbar, Abdul; Gasser, Robin B.; Baell, Jonathan B. published the artcile< Novel 1-Methyl-1H-pyrazole-5-carboxamide Derivatives with Potent Anthelmintic Activity>, Recommanded Product: 3-Fluoro-4-iodobenzonitrile, the main research area is anthelmintic resistance phenotypic screen Haemonchus SAR hookworms whipworms.

A phenotypic screen of two different libraries of small mols. against the motility and development of the parasitic nematode Haemonchus contortus led to the identification of two 1-methyl-1H-pyrazole-5-carboxamide derivatives Medicinal chem. optimization targeted modifications of the left-hand side, middle section, and right-hand side of the hybrid structure of these two hits to elucidate the structure-activity relationship (SAR). Initial SAR around these hits allowed for the iterative and directed assembly of a focused set of 30 analogs of their hybrid structure. Compounds 10, 17, 20, and 22 were identified as the most potent compounds, inhibiting the development of the fourth larval (L4) stage of H. contortus at sub-nanomolar potencies while displaying strong selectivity toward the parasite when tested in vitro against the human MCF10A cell line. In addition, compounds 9 and 27 showed promising activity against a panel of other parasitic nematodes, including hookworms and whipworms.

Journal of Medicinal Chemistry published new progress about Anthelmintics. 887266-99-1 belongs to class iodides-buliding-blocks, and the molecular formula is C7H3FIN, Recommanded Product: 3-Fluoro-4-iodobenzonitrile.

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Cabrita, Ivania; Fernandes, Ana C. published the artcile< A novel efficient and chemoselective method for the reduction of nitriles using the system silane/oxo-rhenium complexes>, Application In Synthesis of 887266-99-1, the main research area is rhenium catalyzed reduction nitrile reactant primary amine preparation; oxo rhenium catalyzed reduction nitrile reactant amine preparation.

This work reports the reduction of nitriles to the corresponding primary amines, e.g. 4-I-3-FC6H3CH2NH2 and 4-MeSC6H4CH2NH2, with silanes catalyzed by oxo-rhenium complexes. The catalytic system PhSiH3/ReIO2(PPh3)2 (10 mol %) reduced efficiently a series of nitriles in the presence of a wide range of functional groups such as -Cl, -F, -Br, -I, -CF3, -OCH3, -SCH3, -SO2CH3 and -NHTs.

Tetrahedron published new progress about Nitriles Role: RCT (Reactant), RACT (Reactant or Reagent). 887266-99-1 belongs to class iodides-buliding-blocks, and the molecular formula is C7H3FIN, Application In Synthesis of 887266-99-1.

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Jia, Shiqi; Chen, Zhili; Zhang, Nan; Tan, Yu; Liu, Yidong; Deng, Jun; Yan, Hailong published the artcile< Organocatalytic Enantioselective Construction of Axially Chiral Sulfone-Containing Styrenes>, SDS of cas: 2265-92-1, the main research area is alkynylnaphthol sulfinate organocatalytic addition; styrene sulfone enantioselective preparation.

Described herein is an organocatalytic enantioselective approach for the construction of axially chiral sulfone-containing styrenes, e.g., I. Various axially chiral sulfone-containing styrene compounds were prepared with excellent enantioselectivities (up to >99% ee) and almost complete E/Z selectivities (>99% E/Z). Furthermore, the axially chiral sulfone-containing styrenes could be easily converted into phosphonic acid and S/P ligands, which could be potentially used as organocatalysts or ligands in asym. catalysis.

Journal of the American Chemical Society published new progress about Addition reaction catalysts, stereoselective. 2265-92-1 belongs to class iodides-buliding-blocks, and the molecular formula is C6H3F2I, SDS of cas: 2265-92-1.

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Yang, Shuang; Shi, Shoujie; Chen, Yuhang; Ding, Zhenhua published the artcile< Synthesis of Dihydroxazines and Fluorinated Oxazepanes Using a Hypervalent Fluoroiodine Reagent>, Recommanded Product: 1-Fluoro-3,3-dimethyl-1,2-benziodoxole, the main research area is dihydroxazine fluorinated oxazepane preparation hypervalent fluoroiodine reagent; regiodivergent synthesis allylaminoethanol starting material.

Application of a hypervalent fluoroiodane for the regiodivergent synthesis of dihydroxazines and fluorinated oxazepanes from allylaminoethanol was investigated. The reaction was carried out under mild conditions and gave the products in moderate to good yields. The selectivity of this transformation is controlled by the substituents of the allylaminoethanol.

Journal of Organic Chemistry published new progress about Allylic alcohols Role: RCT (Reactant), RACT (Reactant or Reagent). 1391728-13-4 belongs to class iodides-buliding-blocks, and the molecular formula is C9H10FIO, Recommanded Product: 1-Fluoro-3,3-dimethyl-1,2-benziodoxole.

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Wang, Jia-Wang; Li, Yan; Nie, Wan; Chang, Zhe; Yu, Zi-An; Zhao, Yi-Fan; Lu, Xi; Fu, Yao published the artcile< Catalytic asymmetric reductive hydroalkylation of enamides and enecarbamates to chiral aliphatic amines>, Electric Literature of 167479-01-8, the main research area is enamine alkyl halide nickel reductive alkylation regioselective enantioselective diastereoselective; enecarbamate alkyl halide nickel reductive alkylation regioselective enantioselective diastereoselective; chiral aliphatic amine preparation.

A mild and general nickel-catalyzed asym. reductive hydroalkylation effectively converted to enamides and enecarbamates into drug-like α-branched chiral amines was reported. This reaction involved the regio- and stereoselective hydrometallation of an enamide or enecarbamate to generated a catalytic amount of enantioenriched alkylnickel intermediate, followed by C-C bond formation via alkyl electrophiles.

Nature Communications published new progress about Aldehydes Role: RCT (Reactant), RACT (Reactant or Reagent). 167479-01-8 belongs to class iodides-buliding-blocks, and the molecular formula is C8H16INO2, Electric Literature of 167479-01-8.

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Yang, Jin-Dong; Li, Man; Xue, Xiao-Song published the artcile< Computational I(III)-X BDEs for Benziodoxol(on)e-based Hypervalent Iodine Reagents: Implications for Their Functional Group Transfer Abilities>, Product Details of C9H10FIO, the main research area is benziodoxol bond dissociation energy substituent steric effect.

Summary of main observation and conclusion : The first comprehensive I(III)-X (X = F, Br, CN, N3, CF3, etc.) bond dissociation energy (BDE) scales for benziodoxol(on)e-based hypervalent iodine reagents have been developed by virtue of DFT calculations Excellent correlation is observed between the I(III)-X BDEs and the X-H BDEs, offering a powerful avenue to quickly estimate the group-transfer ability of a novel benziodoxol(on)e-based hypervalent reagent.

Chinese Journal of Chemistry published new progress about Bond cleavage. 1391728-13-4 belongs to class iodides-buliding-blocks, and the molecular formula is C9H10FIO, Product Details of C9H10FIO.

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com