Category: 40400-13-3

Computed Properties of C7H6BrI. Aromatic heterocyclic compounds can also be classified according to the number of heteroatoms contained in the heterocycle: single heteroatom, two heteroatoms, three heteroatoms and four heteroatoms. Compound: 1-(Bromomethyl)-2-iodobenzene, is researched, Molecular C7H6BrI, CAS is 40400-13-3, about α-Oxocarboxylic Acids as Three-Carbon Insertion Units for Palladium-Catalyzed Decarboxylative Cascade Synthesis of Diverse Fused Heteropolycycles. Author is Zhou, Liwei; Qiao, Shujia; Zhou, Fengru; Xuchen, Xinyu; Deng, Guobo; Yang, Yuan; Liang, Yun.

A novel palladium-catalyzed decarboxylative cascade cyclization for the assembly of diverse fused heteropolycycles by employing α-oxocarboxylic acids as three-carbon insertion units is reported. This protocol enables the synthesis of isoquinolinedione- and indolo[2,1-a]isoquinolinone-fused benzocycloheptanones in moderate to good yields by the use of different aryl iodides, including alkene-tethered 2-iodobenzamides and 2-(2-iodophenyl)-1H-indoles. Notably, the approach achieves simultaneous construction of both six- and seven-membered rings via sequential intramol. carbopalladation, C-H activation, and decarboxylation.

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Reference:
Phosphine ligand,
Chiral phosphine ligands in asymmetric synthesis. Molecular structure and absolute configuration of (1,5-cyclooctadiene)-(2S,3S)-2,3-bis(diphenylphosphino)butanerhodium(I) perchlorate tetrahydrofuran solvate

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 1-(Bromomethyl)-2-iodobenzene(SMILESS: BrCC1=C(I)C=CC=C1,cas:40400-13-3) is researched.Formula: C46H46O4P2Pd2. The article 《Substituted dienes prepared from betulinic acid – Synthesis, cytotoxicity, mechanism of action, and pharmacological parameters》 in relation to this compound, is published in European Journal of Medicinal Chemistry. Let’s take a look at the latest research on this compound (cas:40400-13-3).

A set of new substituted dienes were synthesized from betulinic acid by its oxidation to 30-oxobetulinic acid followed by the Wittig reaction. Cytotoxicity of all compounds was tested in vitro in eight cancer cell lines and two noncancer fibroblasts. Almost all dienes were more cytotoxic than betulinic acid. Four compounds had IC50 below 5μmol/L; I and II were selected for studies of the mechanism of action. Cell cycle anal. revealed an increase in the number of apoptotic cells at 5 x IC50 concentration, where activation of irreversible changes leading to cell death can be expected. Both I and II led to the accumulation of cells in the G0/G1 phase with partial inhibition of DNA/RNA synthesis at 1 x IC50 and almost complete inhibition at 5 x IC50. Interestingly, compound II at 5 x IC50 caused the accumulation of cells in the S phase. Higher concentrations of tested drugs probably inhibit more off-targets than lower concentrations Mechanisms disrupting cellular metabolism can induce the accumulation of cells in the S phase. Both compounds I and II trigger selective apoptosis in cancer cells via intrinsic pathway, which we have demonstrated by changes in the expression of the crucial apoptosis-related protein. Pharmacol. parameters of derivative I were superior to II, therefore I was the finally selected candidate for the development of anticancer drug.

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Reference:
Phosphine ligand,
Chiral phosphine ligands in asymmetric synthesis. Molecular structure and absolute configuration of (1,5-cyclooctadiene)-(2S,3S)-2,3-bis(diphenylphosphino)butanerhodium(I) perchlorate tetrahydrofuran solvate

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Light-promoted copper-catalyzed cage C-arylation of o-carboranes: facile synthesis of 1-aryl-o-carboranes and o-carborane-fused cyclics》. Authors are Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei.The article about the compound:1-(Bromomethyl)-2-iodobenzenecas:40400-13-3,SMILESS:BrCC1=C(I)C=CC=C1).HPLC of Formula: 40400-13-3. Through the article, more information about this compound (cas:40400-13-3) is conveyed.

Light-promoted, copper catalyzed cage C-H arylation of o-carboranes with aryl halides has been achieved, leading to the facile synthesis of a variety of 1-aryl-o-carboranes and o-carborane-fused cyclics. This method has the following features: (1) using o-carboranes instead of prefunctionalized iodocarboranes as starting materials; (2) employing earth abundant copper as a catalyst; and (3) room-temperature reaction. Control experiments suggest that the reaction proceeds via Cu-catalyzed radical coupling.

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Reference:
Phosphine ligand,
Chiral phosphine ligands in asymmetric synthesis. Molecular structure and absolute configuration of (1,5-cyclooctadiene)-(2S,3S)-2,3-bis(diphenylphosphino)butanerhodium(I) perchlorate tetrahydrofuran solvate

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 1-(Bromomethyl)-2-iodobenzene(SMILESS: BrCC1=C(I)C=CC=C1,cas:40400-13-3) is researched.Recommanded Product: 40400-13-3. The article 《Oxidative cross-dehydrogenative coupling between iodoarenes and acylanilides for C-N bond formation under metal-free conditions》 in relation to this compound, is published in Organic Chemistry Frontiers. Let’s take a look at the latest research on this compound (cas:40400-13-3).

A novel metal-free C-N bond formation method through oxidative cross-dehydrogenative coupling between iodoarenes RI (R = Ph, 3-methylphenyl, 3,5-dimethylphenyl, etc.) and acylanilides R1NHC(O)R2 (R1 = Ph, 3-chloro-4-methylphenyl, 2-bromophenyl, etc.; R2 = Me, Ph, cyclopropyl, etc.) was developed. The reaction was mediated by mCPBA without any metal catalysts or additives. The reaction exhibited high para-selectivity with the retention of an iodine atom which enabled further transformations. This method also possessed the merits of substrate availability, easy operation and atom economy. It provides a simple and efficient route for the preparation of functionalized N-aryl amides I (R = H, 3-Me, 3,5-di-Me, 2,6-di-Me, etc.).

Although many compounds look similar to this compound(40400-13-3)Reference of 1-(Bromomethyl)-2-iodobenzene, numerous studies have shown that this compound(SMILES:BrCC1=C(I)C=CC=C1), has unique advantages. If you want to know more about similar compounds, you can read my other articles.

Reference:
Phosphine ligand,
Chiral phosphine ligands in asymmetric synthesis. Molecular structure and absolute configuration of (1,5-cyclooctadiene)-(2S,3S)-2,3-bis(diphenylphosphino)butanerhodium(I) perchlorate tetrahydrofuran solvate

The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 1-(Bromomethyl)-2-iodobenzene, is researched, Molecular C7H6BrI, CAS is 40400-13-3, about Palladium-Catalyzed [2+2+1] Spiroannulation via Alkyne-Directed Remote C-H Arylation and Subsequent Arene Dearomatization, the main research direction is alkynyl iodobenzene bromophenol palladium catalyst tandem regioselective spiroannulation; C−H activation; aryl halides; cross-coupling; dearomatization; palladacycles.Synthetic Route of C7H6BrI.

A highly chemoselective Pd0-catalyzed alkyne-directed cross-coupling of aryl iodides with bromophenols, which was subsequently followed by phenol dearomatization was reported to furnish a very attractive [2+2+1] spiroannulated products. Notably, possible homo-coupling of aryl iodides was not observed at all. Mechanistic studies indicated that a five-membered aryl/vinyl palladacycle most likely accounts for promoting the key step of biaryl cross-coupling.

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Reference:
Phosphine ligand,
Chiral phosphine ligands in asymmetric synthesis. Molecular structure and absolute configuration of (1,5-cyclooctadiene)-(2S,3S)-2,3-bis(diphenylphosphino)butanerhodium(I) perchlorate tetrahydrofuran solvate

Category: chiral-phosphine-ligands. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 1-(Bromomethyl)-2-iodobenzene, is researched, Molecular C7H6BrI, CAS is 40400-13-3, about In-chain functionalization through the combination of ring opening copolymerization and oxime “”Click”” reaction towards X-ray opaque polylactide copolymers. Author is Wang, Wenhuan; Sang, Lin; Kong, Weizong; Zhao, Yiping; Wei, Zhiyong; Li, Yang.

X-ray imaging functionalization of biodegradable polyesters is a great demand and challenge in biomedical applications. In this work, a strategy of in-chain functionalization through the combination of ring opening copolymerization and oxime “”Click”” postfunctionalization was developed towards X-ray opaque polylactide copolymers. A functionalized cyclic carbonate was first synthesized and used as comonomer of polylactide copolymers, which were subjected to postfunctionalization of oxime “”Click”” reaction towards iodinated polylactide copolymers. The chem. structure and phys. properties of the target products were traced and confirmed. In vitro cytotoxicity evaluation with 3T3-Swiss albino by Alamar blue demonstrated a low cytotoxicity. The X-ray radiopacity was analyzed by Micro-CT and quantified by Hounsfield Units value, which could be tailorable by the feedstock. It is a promising X-ray visible implantable biomaterial in biomedical applications.

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Reference:
Phosphine ligand,
Chiral phosphine ligands in asymmetric synthesis. Molecular structure and absolute configuration of (1,5-cyclooctadiene)-(2S,3S)-2,3-bis(diphenylphosphino)butanerhodium(I) perchlorate tetrahydrofuran solvate

The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 1-(Bromomethyl)-2-iodobenzene, is researched, Molecular C7H6BrI, CAS is 40400-13-3, about 1-Alkyl-3-alkylindolin-2-imine hydrochlorides as useful building blocks in the copper-catalyzed synthesis of polycyclic indoline scaffolds, the main research direction is dihydro indoloquinoline preparation; tetrahydro indoloquinoline preparation.Reference of 1-(Bromomethyl)-2-iodobenzene.

A novel and efficient copper-catalyzed synthesis of dihydro-6H-indolo[2,3-b]quinoline derivatives I [R1 = H, 9-Me, 9-F, etc.; R2 = Me, Et, Bn, etc.; R3 = Me, Ph, Bn,etc.; R4 = H, 2-OMe, 2-Cl, etc.] was synthesized using 3-alkyl-1-alkylindolin-2-imine hydrochlorides as the building blocks. Furthermore, easy reduction of compounds I with diisobutylaluminum hydride provided tetrahydro-6H-indolo[2,3-b]quinoline derivatives II [R5 = H, 7,9-(Me)2; R6 = Me, Bn; R7 = Et, n-Pr, Bn, 4-MeOC6H4CH2] in excellent yields. The present method showed some advantages including use of cheap cuprous chloride as the catalyst and tolerance of wide functional groups.

Although many compounds look similar to this compound(40400-13-3)Reference of 1-(Bromomethyl)-2-iodobenzene, numerous studies have shown that this compound(SMILES:BrCC1=C(I)C=CC=C1), has unique advantages. If you want to know more about similar compounds, you can read my other articles.

Reference:
Phosphine ligand,
Chiral phosphine ligands in asymmetric synthesis. Molecular structure and absolute configuration of (1,5-cyclooctadiene)-(2S,3S)-2,3-bis(diphenylphosphino)butanerhodium(I) perchlorate tetrahydrofuran solvate

Electric Literature of C7H6BrI. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 1-(Bromomethyl)-2-iodobenzene, is researched, Molecular C7H6BrI, CAS is 40400-13-3, about Noncovalent Axial I···Pt···I Interactions in Platinum(II) Complexes Strengthen in the Excited State. Author is Bulatov, Evgeny; Eskelinen, Toni; Ivanov, Alexander Yu.; Tolstoy, Peter M.; Kalenius, Elina; Hirva, Pipsa; Haukka, Matti.

Coordination compounds of platinum(II) participate in various noncovalent axial interactions involving metal center. Weakly bound axial ligands can be electrophilic or nucleophilic; however, interactions with nucleophiles are compromised by electron d. clashing. Consequently, simultaneous axial interaction of platinum(II) with two nucleophilic ligands is almost unprecedented. Herein, the authors report structural and computational study of a platinum(II) complex possessing such intramol. noncovalent I···Pt···I interactions. Structural anal. indicates that the two iodine atoms approach the platinum(II) center in a side-on fashion and act as nucleophilic ligands. According to computational studies, the interactions are dispersive, weak and anti-cooperative in the ground electronic state, but strengthen substantially and become partially covalent and cooperative in the lowest excited state. Strengthening of I···Pt···I contacts in the excited state is also predicted for the sole previously reported complex with analogous axial interactions.

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Reference:
Phosphine ligand,
Chiral phosphine ligands in asymmetric synthesis. Molecular structure and absolute configuration of (1,5-cyclooctadiene)-(2S,3S)-2,3-bis(diphenylphosphino)butanerhodium(I) perchlorate tetrahydrofuran solvate

Name: 1-(Bromomethyl)-2-iodobenzene. The protonation of heteroatoms in aromatic heterocycles can be divided into two categories: lone pairs of electrons are in the aromatic ring conjugated system; and lone pairs of electrons do not participate. Compound: 1-(Bromomethyl)-2-iodobenzene, is researched, Molecular C7H6BrI, CAS is 40400-13-3, about Radical-mediated C-C cleavage of unstrained cycloketones and DFT study for unusual regioselectivity. Author is Wang, Mingyang; Li, Man; Yang, Shan; Xue, Xiao-Song; Wu, Xinxin; Zhu, Chen.

Herein, an efficient strategy for the direct C-C cleavage of cyclohexanones and cyclopentanones, e.g., I [X = O, CH2; Z = CH2, CH2CH2, (CH2)3; R = H, 4-Ph, 3,5-Cl2, etc.], is reported. The cyclic C-C σ-bond is readily cleaved under mild conditions with the aid of an in situ formed side-chain aryl radical. D. functional theory calculations are carried out to shed light on the unusual regioselectivity of C-C bond cleavage. The reaction affords a variety of structurally diverse 3-coumaranones and indanones II that widely exist in natural products and bioactive mols., illustrating the synthetic value of this method.

Although many compounds look similar to this compound(40400-13-3)Name: 1-(Bromomethyl)-2-iodobenzene, numerous studies have shown that this compound(SMILES:BrCC1=C(I)C=CC=C1), has unique advantages. If you want to know more about similar compounds, you can read my other articles.

Reference:
Phosphine ligand,
Chiral phosphine ligands in asymmetric synthesis. Molecular structure and absolute configuration of (1,5-cyclooctadiene)-(2S,3S)-2,3-bis(diphenylphosphino)butanerhodium(I) perchlorate tetrahydrofuran solvate

Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Preprint, ChemRxiv called Mapping ambiphile reactivity trends in the anti-(hetero)annulation of non-conjugated alkenes via Pd(II)/Pd(IV) catalysis, Author is Ni, Hui-Qi; Cooper, Phillippa; Yang, Shouliang; Wang, Fen; Sach, Neal; Bedekar, Pranali G.; Donaldson, Joyann S.; Tran-Dube, Michelle; McAlpine, Indrawan J.; Engle, Keary M., which mentions a compound: 40400-13-3, SMILESS is BrCC1=C(I)C=CC=C1, Molecular C7H6BrI, Recommanded Product: 1-(Bromomethyl)-2-iodobenzene.

A systematic evaluation of different ambiphilic organohalides, e.g., N-(2-iodobenzyl)-4-(trifluoromethyl)benzenesulfonamide for their ability to participate in anti-selective carbo- or heteroannulation with non-conjugated alkenyl amides e.g., N-(quinolin-8-yl)but-3-enamide under Pd catalysis has been described. Detailed optimization of reaction conditions has led to protocols for synthesizing tetrahydropyridines I (R = H, Me; R1 = H, Me, Ph; X = tosyl, 4-CNC6H4S(O)2), tetralins II [R2 = H, Me, OMe, etc.; R3 = H, CN; R4 = C(C(O)OMe)2, C(C(O)OEt)2, C(CN)(C(O)OEt), etc.], pyrrolidines III (R5 = Ts, OBn, Ph), and other carbo/heterocyclic cores via [n + 2] (n = 3-5) (hetero)annulation. Expansion of scope to otherwise unreactive ambiphilic haloketones through Pd(II)/amine co-catalysis is also demonstrated. Compared to other annulation processes, this method proceeds via a distinct Pd(II)/Pd(IV) mechanism involving Wacker type directed nucleopalladation. This distinction results in unique reactivity and selectivity patterns, as revealed through assessment of reaction scope and competition experiments

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Reference:
Phosphine ligand,
Chiral phosphine ligands in asymmetric synthesis. Molecular structure and absolute configuration of (1,5-cyclooctadiene)-(2S,3S)-2,3-bis(diphenylphosphino)butanerhodium(I) perchlorate tetrahydrofuran solvate