Tag: M.W=250-300

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

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, 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

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

Yang, Peng-Fei; Zhu, Lei; Liang, Jian-Xing; Zhao, Han-Tong; Zhang, Jian-Xin; Zeng, Xian-Wang; Ouyang, Qin; Shu, Wei published the artcile< Regio- and Enantioselective Hydroalkylations of Unactivated Olefins Enabled by Nickel Catalysis: Reaction Development and Mechanistic Insights>, SDS of cas: 167479-01-8, the main research area is mechanism hydroalkylation olefin alkyl halide regioselective enantioselective nickel catalyst; alkene alkyl halide nickel catalyst enantioselective regioselective hydroalkylation; alkyl amide preparation.

Direct construction of fully alkyl-substituted tertiary chiral centers remote to activating groups is highly challenging and desirable. Herein, a Ni-catalyzed enantioselective hydroalkylation of unactivated alkenes with unactivated alkyl halides at room temperature is reported, providing a general and practical access to fully alkyl-substituted tertiary stereogenic carbon centers not adjacent to activating groups. This reaction undergoes regio- and stereoselective hydrometalation of unactivated alkenes with a nontrivial Markovnikov selectivity, followed by cross-coupling with unactivated alkyl electrophiles to access trialkyl tertiary saturated stereogenic centers not adjacent to activating groups. The mild and robust conditions enable the use of terminal and internal unactivated alkenes and unactivated primary and secondary alkyl, benzyl and propargyl halides to construct diverse trialkyl tertiary stereogenic carbon centers with broad functional group tolerance. Moreover, exptl. investigations support the reaction undergoing irreversible and stereoselective hydrometalation of alkenes. D. functional theory calculations provide further insights into the reaction mechanism, suggesting a stereoselective migration insertion of alkenes with Ni(II)-H species. Finally, the origin of the regio- and enantioselectivities was also investigated.

ACS Catalysis 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, SDS of cas: 167479-01-8.

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

Chen, Yuhang; Zhang, Dingcheng; Sun, Mingze; Ding, Zhenhua published the artcile< Divergent synthesis of isoxazoles and 6H-1,2-oxazines via hypervalent iodine-mediated intramolecular oxygenation of alkenes>, Electric Literature of 1391728-13-4, the main research area is isoxazoles preparation; oxazine preparation; alkene intramol oxygenation hypervalent iodine mediated.

The divergent synthesis of isoxazoles I [R1 = Ph, 4-MeC6H4, 2-naphthyl, etc.; R2 = Ph, 2-naphthyl, 2-furyl, etc.] and 6H-1,2-oxazines II [R3 = Me, CH(Me)2, cyclohexyl, Bn; Ar = Ph, 4-FC6H4, 2-naphthyl, etc.] was realized using a hypervalent fluoroiodane reagent from β,γ-unsaturated oximes. The formation of a five- or six-membered ring is controlled by the substituents of the substrates combined with the reaction conditions. The reaction was performed under mild conditions and gave the products in moderate to good yields.

New Journal of Chemistry published new progress about Alkenes Role: RCT (Reactant), RACT (Reactant or Reagent). 1391728-13-4 belongs to class iodides-buliding-blocks, and the molecular formula is C9H10FIO, Electric Literature of 1391728-13-4.

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

Clark, Jennifer M.; Salgado-Polo, Fernando; Macdonald, Simon J. F.; Barrett, Tim N.; Perrakis, Anastassis; Jamieson, Craig published the artcile< Structure-Based Design of a Novel Class of Autotaxin Inhibitors Based on Endogenous Allosteric Modulators>, Electric Literature of 167479-01-8, the main research area is structure based design steroid autotaxin inhibitors endogenous allosteric modulator.

Autotaxin (ATX) facilitates the hydrolysis of lysophosphatidylcholine to lysophosphatidic acid (LPA), a bioactive phospholipid, which facilitates a diverse range of cellular effects in multiple tissue types. Abnormal LPA expression can lead to the progression of diseases such as cancer and fibrosis. Previously, we identified a potent ATX steroid-derived hybrid (partially orthosteric and allosteric) inhibitor which did not form interactions with the catalytic site. Herein, we describe the design, synthesis, and biol. evaluation of a focused library of novel steroid-derived analogs targeting the bimetallic catalytic site, representing an entirely unique class of ATX inhibitors of type V designation, which demonstrate significant pathway-relevant biochem. and phenotypic biol. effects. The current compounds modulated LPA-mediated ATX allostery and achieved indirect blockage of LPA1 internalization, in line with the observed reduction in downstream signaling cascades and chemotaxis induction. These novel type V ATX inhibitors represent a promising tool to inactivate the ATX-LPA signaling axis.

Journal of Medicinal Chemistry published new progress about Allosteric modulators. 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

Kiefl, Gabriel M.; Gulder, Tanja published the artcile< α-Functionalization of Ketones via a Nitrogen Directed Oxidative Umpolung>, Related Products of 1391728-13-4, the main research area is alpha functionalization pyridyl ketone oxidative umpolung hypervalent fluorine iodane; regioselective oxidative functionalization.

Reversing the polarity in mols. is a versatile tool for expanding the boundaries of structural space. Despite a manifold of different umpolung methods available today, overcoming the inherent reactivity still remains a constant challenge in organic chem. The oxidative α-functionalization of ketones by external nucleophiles constitute such an example. Herein, we present a hypervalent F-iodane mediated umpolung of pyridyl ketones triggered by Lewis base/Lewis acid noncovalent interactions. A wide variety of external nucleophiles are introduced with high regioselectivity applying this substrate-directing concept.

Journal of the American Chemical Society published new progress about Directing groups. 1391728-13-4 belongs to class iodides-buliding-blocks, and the molecular formula is C9H10FIO, Related Products of 1391728-13-4.

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

Satonaka, Hajime published the artcile< The substituent effects in thiophene compounds. I. Proton NMR and IR studies in methyl (substituted 2-thiophenecarboxylates)>, Synthetic Route of 88105-22-0, the main research area is LFER electronegativity IR thiophenecarboxylate; carbonyl group IR thiophenecarboxylate; proton NMR thiophenecarboxylate; spin coupling thiophenecarboxylate.

The 1H NMR and the IR CO group stretching frequencies of Me (3-, 4-, and 5-substituted 2-thiophenecarboxylate)s are observed Good linear correlations between the chem. shifts of the ring protons in Me (4- and 5-substituted 2-thiophenecarboxylate)s and those of the corresponding protons in substituted thiophenes were observed The coupling constants in Me (substituted 2-thiophenecarboxylate)s gave good correlations against the corresponding ones in substituted thiophenes. The IR carbonyl stretching frequencies in Me (5-substituted 2-thiophenecarboxylate)s were correlated reasonably well with the chem. shifts of 5-protons in 2-substituted thiophenes. The coupling constants in Me 2-thiophenecarboxylate series varied linearly with the electronegativities of the substituents.

Bulletin of the Chemical Society of Japan published new progress about Carbonyl group. 88105-22-0 belongs to class iodides-buliding-blocks, and the molecular formula is C6H5IO2S, Synthetic Route of 88105-22-0.

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

D’Agostini, Agnese; D’Auria, Maurizio published the artcile< Photochemical coupling between halogenoheterocyclic and heterocyclic derivatives>, COA of Formula: C6H5IO2S, the main research area is photochem coupling aryl aryl haloheterocycle heterocycle; iodothiophene iodofuran photochem coupling acetoxyallylthiophene acetoxyallylfuran.

The photochem. reaction between 5-iodo-heteroaryl derivatives I (X = O, R = H; X = S, R = Me, H, OMe) and both 3-heteroaryl allylic alcs. II (Y = O, S, R1 = H) and acetates II (Y = O, S, R1 = Ac) have been investigated. The presence of an alc. function was not compatible with photochem. coupling since compounds I were photoreduced in the presence of an alc. In contrast, the acetates gave the expected coupling products III (same X, Y, R, mixture of E and Z isomers). The presence of a weak electron-withdrawing group on the alkene induced an inverted regiochem. giving only aryl-aryl coupling products. The same behavior was observed using 2-(3-acetoxyprop-1-ynyl)thiophene, in which case only the product derived from aryl-aryl coupling was again observed When 2-prop-1-ynylthiophene was used as starting material, the product resulting from attack on the Me group was also observed Photochem. coupling between 2-thienylacetonitrile and halothienyl derivatives I (X = S, R = Me, H) gave no reaction product. In contrast, the irradiation of Me 2-thienylacetate and Me 2-(2-thienyl)propionate in the presence of I (X = S, R = Me, H) did give the corresponding aryl-aryl coupling products.

Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) published new progress about Photochemical coupling reaction. 88105-22-0 belongs to class iodides-buliding-blocks, and the molecular formula is C6H5IO2S, COA of Formula: C6H5IO2S.

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