Month: October 2022

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

Biller, Scott A.; Abt, Jeffrey W.; Pudzianowski, Andrew T.; Rich, Lois C.; Slusarchyk, Dorothy A.; Ciosek, Carl P. Jr. published the artcile< Aromatic isosteres as conformational probes for an isoprenyl subunit: application to inhibitors of squalene synthase>, Related Products of 88105-22-0, the main research area is aromatic isotere squalene synthase inhibitor; isoprenyl subunit conformational probe.

A series of aromatic isosteres of the farnesyl chain of potent squalene synthase inhibitor I were prepared and evaluated. The results are consistent with the local conformation indicated in structure II.

Bioorganic & Medicinal Chemistry Letters published new progress about Stereoselective synthesis. 88105-22-0 belongs to class iodides-buliding-blocks, and the molecular formula is C6H5IO2S, Related Products of 88105-22-0.

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

Rahimidashaghoul, Kheironnesae; Klimankova, Iveta; Hubalek, Martin; Korecky, Michal; Chvojka, Matus; Pokorny, Daniel; Matousek, Vaclav; Fojtik, Lukas; Kavan, Daniel; Kukacka, Zdenek; Novak, Petr; Beier, Petr published the artcile< Reductant-induced free radical fluoroalkylation of nitrogen heterocycles and innate aromatic amino acid residues in peptides and proteins>, HPLC of Formula: 1391728-13-4, the main research area is peptides protein synthesis reductant induced free radical fluoroalkylation tryptophan; nitrogen heterocycle amino acid fluoroalkylation bioconjugation fluorine iodine radical; myoglobin ubiquitin human carbonic anhydrase functionalization mol modeling; fluoroalkylation reaction mechanism sodium ascorbate catalyst; bioconjugation; fluorine; iodine; radicals; tryptophan.

A series of fluoroalkylated cyclic λ3-iodanes and their hydrochloride salts was prepared and used in a combination with sodium ascorbate in buffer or aqueous methanol mixtures for radical fluoroalkylation of a range of substituted indoles, pyrroles, tryptophan or its derivatives, and Trp residues in peptides. As demonstrated on several peptides, the aromatic amino acid residues of Trp, Tyr, Phe, and His are targeted with high selectivity to Trp. The functionalization method is biocompatible, mild, rapid, and transition-metal-free. The proteins myoglobin, ubiquitin, and human carbonic anhydrase I were also successfully functionalized.

Chemistry – A European Journal published new progress about Fluoroalkylation. 1391728-13-4 belongs to class iodides-buliding-blocks, and the molecular formula is C9H10FIO, HPLC of Formula: 1391728-13-4.

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

Wang, Lei; Byun, Jeehye; Li, Run; Huang, Wei; Zhang, Kai A. I. published the artcile< Molecular Design of Donor-Acceptor-Type Organic Photocatalysts for Metal-free Aromatic C-C Bond Formations under Visible Light>, Application of C7H3FIN, the main research area is mol Donor Acceptor organic photocatalysts metal free aromatic carbon.

Metal-free and photocatalytic radical-mediated aromatic C-C bond formations offer a promising alternative pathway to the conventional transition metal-catalyzed cross-coupling reactions. However, the formation of aryl radicals from common precursors such as aryl halides is highly challenging due to their extremely high reductive potential. Here, we report a structural design strategy of donor-acceptor-type organic photocatalysts for visible light-driven C-C bond formations through the reductive dehalogenation of aryl halides. The reduction potential of the photocatalysts could be systematically aligned to be -2.04 V vs. SCE via a simple heteroatom engineering of the donor-acceptor moieties. The high reductive potential of the mol. photocatalyst could reduce various aryl halides into aryl radicals to form the C-C bond with heteroarenes. The design ability of the mol. photocatalyst further allowed the synthesis of a high LUMO (LUMO) polymer photocatalyst by a self-initiated free radical polymerization without compromising its LUMO level.

Advanced Synthesis & Catalysis published new progress about Cyclic voltammetry. 887266-99-1 belongs to class iodides-buliding-blocks, and the molecular formula is C7H3FIN, Application of C7H3FIN.

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