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Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: 1-(Bromomethyl)-2-iodobenzene, is researched, Molecular C7H6BrI, CAS is 40400-13-3, about Spectroscopic, structural and anticancer activity studies of (-)-cytisine halogenated N-benzyl derivatives.Computed Properties of C7H6BrI.

(-)-Cytisine and its derivatives, characterized by high affinity to neuronal nicotinic acetylcholine receptors (nAChRs), have been shown to be important probes in the research of central nervous system disorders. In this work new halogenated N-benzylcytisine derivatives were obtained, and structurally characterized by NMR spectra and x-ray diffraction. Electron impact mass spectral (EIMS) fragmentations have been investigated and detailed fragmentation pathways have been proposed for all significant ions. For the first time it is shown that cytisine derivatives, under in vitro condition, exhibit promising antiproliferative activities against selected cell lines (A549, MV4-11, NCI-H358, MDA-MB-231, MCF-7, LoVo, HT-29, SK-N-MC). They exhibit lower cytotoxicity against normal murine fibroblasts then cisplatin, the commonly used anticancer drug. N-(4-iodobenzyl)cytisine revealed the strongest antiproliferative activity against lung (NCI-H358) and neuroepithelioma (SK-N-MC; IC50 below 10 μM) cancer cell lines among all compounds studied.

In addition to the literature in the link below, there is a lot of literature about this compound(1-(Bromomethyl)-2-iodobenzene)Computed Properties of C7H6BrI, illustrating the importance and wide applicability of this compound(40400-13-3).

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

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Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: 1-(Bromomethyl)-2-iodobenzene, is researched, Molecular C7H6BrI, CAS is 40400-13-3, about A palladium-catalyzed Heck/[4+1] decarboxylative cyclization cascade to access diverse heteropolycycles by using α-bromoacrylic acids as C1 insertion units.Application In Synthesis of 1-(Bromomethyl)-2-iodobenzene.

A novel palladium-catalyzed Heck/[4+1] decarboxylative cyclization cascade of alkene-tethered aryl iodides 2-I-4-R2-5-R1-6-RC6HC(X)N(R3)C(Y)C(R4)=CH2 (R = H, Me; R1 = H, F, Cl, OMe, etc.; R2 = H, Me; R3 = Me, benzyl, allyl; R4 = Me, Ph; X = C(O), CH2; Y = C(O), CH2) and I (R5 = H, Me; R6 = H, Me, F, Cl, Br; R7 = H, Me; Z = C(O)) with α-bromoacrylic acids HOOC(Br)C=C(R8)(R9) [R8 = H, Me, Ph, etc.; R9 = H, Pr, 4-chlorophenyl, etc.; R8R9 = -(CH2)4-, -(CH2)5-, -(CH2)2O(CH2)2-, etc.] is reported. This strategy employs α-bromoacrylic acids as a new C1 synthon to assemble diverse heteropolycycles, such as cyclopenta[de]isoquinolinediones II and cyclopenta[de]indolo[2,1-a]isoquinolinones III, in moderate to excellent yields. This reaction enables the construction of three C-C bonds via sequential fused palladacycle formation, C(vinyl)-Br bond 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 influence of catalyst in reaction 40400-13-3

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Heterocyclic compounds can be divided into two categories: alicyclic heterocycles and aromatic heterocycles. Compounds whose heterocycles in the molecular skeleton cannot reflect aromaticity are called alicyclic heterocyclic compounds. Compound: 40400-13-3, is researched, Molecular C7H6BrI, about Design, synthesis and in vitro antitumor evaluation of novel pyrazole-benzimidazole derivatives, the main research direction is diphenylpyrazolyl benzimidazole preparation antitumor SAR apoptosis induction; Antiproliferative activity; Benzimidazole-pyrazole; Cell cycle; Cells apoptosis.Formula: C7H6BrI.

A series of novel pyrazole-benzimidazole derivatives I [R = Br, MeO; R1 = Pr, benzyl, cinnamyl, etc.] were designed, synthesized and evaluated for their in-vitro antiproliferative activity against the HCT116, MCF-7 and Huh-7 cell lines. Among them, compounds I [R = Br, R1 = Pr, 4-(trifluoromethyl)benzyl; R = MeO, 4-cyanomethyl] showed significant antiproliferative activity against HCT116 cell lines with the IC50 values of 4.33, 5.15 and 4.84μM, resp. Moreover, fluorescent staining studies showed compound I [R = Br, R1 = 4-(trifluoromethyl)benzyl] could induce cancer cells apoptosis. The flow cytometry assay revealed that compound I [R = Br, R1 = 4-(trifluoromethyl)benzyl] could induce cell cycle arrest at G0/G1 phase. All in all, these consequences suggested that pyrazole-benzimidazole derivatives I could serve as promising compounds for further research to develop novel and highly potent cancer therapy agents.

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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

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There are many compounds similar to this compound(40400-13-3)Recommanded Product: 1-(Bromomethyl)-2-iodobenzene. if you want to know more, you can check out my other articles. I hope it will help you,maybe you’ll find some useful information.

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 Visible-Light-Driven Dearomatization Reaction toward the Formation of Spiro[4.5]deca-1,6,9-trien-8-ones, the main research direction is visible light dearomatization benzylbromomalonate alkyne; spirodecatrienone preparation.Recommanded Product: 1-(Bromomethyl)-2-iodobenzene.

A visible-light-driven regioselective dearomative cyclization between 2-benzyl-2-bromomalonate and alkynes under mild conditions leading to the formation of spiro[4,5]decanes has been developed. In the presence of H2O, a variety of 2-benzyl-2-bromomalonates smoothly undergo 5-exo-dig radical dearomative cyclization with alkynes to afford the corresponding spiro[4,5]decanes in moderate to good yield in a step-economical manner under oxidant-free conditions.

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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

Archives for Chemistry Experiments of 40400-13-3

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The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《CuSO4-Catalyzed Tandem C(sp3)-H Insertion Cyclization of Toluenes with Isonitriles to Form Indoles》. Authors are Shan, Xiang-Huan; Wang, Mei-Mei; Tie, Lin; Qu, Jian-Ping; Kang, Yan-Biao.The article about the compound:1-(Bromomethyl)-2-iodobenzenecas:40400-13-3,SMILESS:BrCC1=C(I)C=CC=C1).COA of Formula: C7H6BrI. Through the article, more information about this compound (cas:40400-13-3) is conveyed.

A CuSO4-catalyzed tandem benzylic C-H insertion cyclization of toluene derivatives and isonitriles is described. The naturally abundant salt CuSO4 serves as a low-cost ligand-free redox catalyst. This reaction provides a practical modular synthesis of N-aryl indoles from isonitriles.

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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

Extended knowledge of 40400-13-3

There are many compounds similar to this compound(40400-13-3)Recommanded Product: 1-(Bromomethyl)-2-iodobenzene. if you want to know more, you can check out my other articles. I hope it will help you,maybe you’ll find some useful information.

Recommanded Product: 1-(Bromomethyl)-2-iodobenzene. 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 Nickel-Catalyzed Asymmetric Intramolecular Reductive Heck Reaction of Unactivated Alkenes. Author is Yang, Feiyan; Jin, Youxiang; Wang, Chuan.

In the presence of Ni(BF4)2 and a nonracemic pyridinyloxazoline and with Zn as reductant and i-PrOH as solvent, alkenyl-substituted aryl bromides such as I underwent enantioselective reductive Heck reactions to yield nonracemic indanes, benzofurans, and indolines such as II with quaternary stereocenters. A mechanism is proposed involving enantiodetermining migratory insertion followed by protonation with water or an alc. solvent.

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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

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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 Journal, ACS Catalysis called Gold-Catalyzed [5,5]-Rearrangement, Author is Hu, Chao; Farshadfar, Kaveh; Dietl, Martin C.; Cervantes-Reyes, Alejandro; Wang, Tao; Adak, Tapas; Rudolph, Matthias; Rominger, Frank; Li, Jun; Ariafard, Alireza; Hashmi, A. Stephen K., which mentions a compound: 40400-13-3, SMILESS is BrCC1=C(I)C=CC=C1, Molecular C7H6BrI, Name: 1-(Bromomethyl)-2-iodobenzene.

A highly efficient gold-catalyzed cycloisomerization of 1,5-diynes to afford indeno[1,2-c]furans I [R = n-pentyl, Ph, 4-ClC6H4, etc.; R1 = H, 6-OMe 5-F, etc.; R2 = 4-MeC6H4, 2-IC6H4CH2, 3-I-4-MeC6H3, etc.] was developed. Various functional groups were tolerated under the mild reaction conditions, which provided an alternative approach for the synthesis of compounds I. On the basis of mechanistic studies, including crossover experiments, deuterium labeling and computational chem., the product formation proceeded via a formal [5,5]-sigmatropic rearrangement, a yet unknown reactivity pattern in gold catalysis. Instead of a synchronous concerted [5,5]-sigmatropic rearrangement and beyond an asynchronous concerted mode, each involving a single transition state, two energetically low transition states (1.8 and 5.6 kJ/mol) and an intermediate associate of the migrating benzyl cation and the vinyl gold species could be located in the computations.

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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

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Computed Properties of C7H6BrI. So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic. Compound: 1-(Bromomethyl)-2-iodobenzene, is researched, Molecular C7H6BrI, CAS is 40400-13-3, about Pd(II)-Catalyzed Synthesis of Benzocyclobutenes by β-Methylene-Selective C(sp3)-H Arylation with a Transient Directing Group.

Methylene-selective C-H functionalization is a significant hurdle that remains to be addressed in the field of Pd(II) catalysis. A Pd(II)-catalyzed synthesis of benzocyclobutenes I (R = 3-I, 2-F, 3,4-(F)2, etc.; R1 = H, Me, Bu; R2 = Me, Et) by methylene-selective C(sp3)-H arylation of ketones has been described. The reaction utilizes glycine as a transient directing group and a 2-pyridone ligand, which may govern the methylene selectivity by making intimate mol. associations with the substrate during concerted metalation-deprotonation. This reaction is shown to be highly selective for intramol. methylene C(sp3)-H arylation, thus enabling sequential C(sp3)-H functionalization.

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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

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Related Products of 40400-13-3. 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 Gold-Catalyzed 1,2-Aminoarylation of Alkenes with External Amines. Author is Tathe, Akash G.; Urvashi; Yadav, Amit K.; Chintawar, Chetan C.; Patil, Nitin T..

Reported herein is the gold-catalyzed 1,2-aminoarylation of alkenes that engages external amine as a coupling partner. Careful optimization studies revealed a significant role of the concentration of base to achieve highly chemoselective access to the aminoarylation products over potential C-N cross-coupled products. Overcoming all the limitations, the current strategy provided straightforward access to the medicinally relevant 3-aminochroman, 2-aminotetrahydronaphthalene, and 2-aminoindane derivatives

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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

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Application of 40400-13-3. So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic. Compound: 1-(Bromomethyl)-2-iodobenzene, is researched, Molecular C7H6BrI, CAS is 40400-13-3, about Nature-inspired remodeling of (aza)indoles to meta-aminoaryl nicotinates for late-stage conjugation of vitamin B3 to (hetero)arylamines.

The development of a strategy for the synthesis of meta-aminoaryl nicotinates from 3-formyl(aza)indoles was reported. The strategy was mechanistically different from the reported routes and involved the transformation of (aza)indole scaffolds into substituted meta-aminobiaryl scaffolds via Aldol-type addition and intramol. cyclization followed by C-N bond cleavage and re-aromatization. Unlike previous synthetic routes, this biomimetic method utilizes propiolates as enamine precursors and thus allows access to ortho-unsubstituted nicotinates. In addition, the synthetic feasibility toward the halo-/boronic ester-substituted aminobiaryls clearly differentiates the present strategy from other cross-coupling strategies. Most importantly, our method enables the late-stage conjugation of bioactive (hetero)arylamines with nicotinates and nicotinamides and allowed access to the previously unexplored chem. space for biomedical research.

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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