Category: 4760-35-4

Mitra, Mainak published the artcileNonheme Fe(IV) Oxo Complexes of Two New Pentadentate Ligands and Their Hydrogen-Atom and Oxygen-Atom Transfer Reactions, Synthetic Route of 4760-35-4, the publication is Inorganic Chemistry (2015), 54(15), 7152-7164, database is CAplus and MEDLINE.

Two new pentadentate {N5} donor ligands based on the N4Py (N4Py = N,N-bis(2-pyridylmethyl)-N-bis(2-pyridyl)methylamine) framework were synthesized, viz. [N-(1-methyl-2-benzimidazolyl)methyl-N-(2-pyridyl)methyl-N-(bis-2-pyridyl Me)amine] (L¹) and [N-bis(1-methyl-2-benzimidazolyl)methyl-N-(bis-2-pyridylmethyl)amine] (L²), where one or two pyridyl arms of N4Py were replaced by corresponding (N-methyl)benzimidazolyl-containing arms. [Fe^II(MeCN)(L)]²⁺ (L = L¹Â 1; L²Â 2) were synthesized, and reaction of these ferrous complexes with iodosylbenzene gave the ferryl complexes [Fe^IV(O)(L)]²⁺ (L = L¹Â 3; L²Â 4), which were characterized by UV-visible spectroscopy, high resolution mass spectrometry, and Mossbauer spectroscopy. Complexes 3 and 4 are relatively stable with half-lives at room temperature of 40 h (L = L¹) and 2.5 h (L = L²). The redox potentials of 1 and 2, as well as the visible spectra of 3 and 4, indicate that the ligand field weakens as ligand pyridyl substituents are progressively substituted by (N-methyl)benzimidazolyl moieties. The reactivities of 3 and 4 in H-atom transfer (HAT) and O-atom transfer (OAT) reactions show that both complexes exhibit enhanced reactivities when compared to the analogous N4Py complex ([Fe^IV(O)(N4Py)]²⁺), and that the normalized HAT rates increase by âˆ? order of magnitude for each replacement of a pyridyl moiety; i.e., [Fe^IV(O)(L²)]²⁺ exhibits the highest rates. The 2nd-order HAT rate constants can be directly related to the substrate C-H bond dissociation energies. Computational modeling of the HAT reactions indicates that the reaction proceeds via a high spin transition state.

Inorganic Chemistry published new progress about 4760-35-4. 4760-35-4 belongs to imidazoles-derivatives, auxiliary class Chloride,Benzimidazole, name is 2-(Chloromethyl)-1-methyl-1H-benzo[d]imidazole, and the molecular formula is C9H9ClN2, Synthetic Route of 4760-35-4.

Referemce:
https://en.wikipedia.org/wiki/Imidazole,
Imidazole | C3H4N2 – PubChem

Popov, I. I. published the artcileStudy of unsaturated azole derivatives. VII. Novel syntheses of 2-vinylbenzimidazoles, Name: 2-(Chloromethyl)-1-methyl-1H-benzo[d]imidazole, the publication is Khimiya Geterotsiklicheskikh Soedinenii (1978), 1104-7, database is CAplus.

Vinylbenzimidazole I (R = H, R¹ = H, Me; R = Me, MeO, NO₂, R¹ = Me) were obtained in 50-90% yields in 3 steps from II (R = H, NO₂) by cyclocondensation with ClCH₂CO₂H or from III (R = H, Me, MeO, R¹ = Me, R² = CH₂OH) by chlorination with SOCl₂ to give III (R = CH₂Cl) which were treated with Ph₃P to give 62-94% triphenylphosphonium chloride which were condensed with CH₂O via a Wittig reaction.

Khimiya Geterotsiklicheskikh Soedinenii published new progress about 4760-35-4. 4760-35-4 belongs to imidazoles-derivatives, auxiliary class Chloride,Benzimidazole, name is 2-(Chloromethyl)-1-methyl-1H-benzo[d]imidazole, and the molecular formula is C9H9ClN2, Name: 2-(Chloromethyl)-1-methyl-1H-benzo[d]imidazole.

Referemce:
https://en.wikipedia.org/wiki/Imidazole,
Imidazole | C3H4N2 – PubChem

Sun, Sang-dun published the artcileHQSAR study and molecular design of benzimidazole derivatives as corrosion inhibitors, Quality Control of 4760-35-4, the publication is Wuli Huaxue Xuebao (2013), 29(6), 1192-1200, database is CAplus.

Hologram quant. structure-activity relationship (HQSAR) anal. was conducted on a series of benzimidazole compounds to build the HQSAR model between corrosion inhibition properties and mol. structures in acid environment. The optimal HQSAR model was determined by investigating the influence of different fragment distinction and fragment size on the models, and the models stability and predictive ability were evaluated. The results show that the optimal HQSAR model was generated using atoms (A), bonds (B), connectivity (C), hydrogen (H), chirality (Ch), donor and acceptor (D&A) as fragment distinction and fragment size of 1-3. The model had a non-cross validated coefficient (r²) value of 0.996, a cross-validated (q²) value of 0.960, and a cross-validated standard error value of 3.709, which indicates good statistics stability and predictive power. On the basis of the maps derived from the optimal HQSAR model, 38 new benzimidazole derivatives were designed and screened using the optimal HQSAR model, giving potential candidates with high predictive inhibition efficiency. This work provides valuable information for further research and design of more promising corrosion inhibitors in the oil and gas field.

Wuli Huaxue Xuebao published new progress about 4760-35-4. 4760-35-4 belongs to imidazoles-derivatives, auxiliary class Chloride,Benzimidazole, name is 2-(Chloromethyl)-1-methyl-1H-benzo[d]imidazole, and the molecular formula is C10H15NO, Quality Control of 4760-35-4.

Referemce:
https://en.wikipedia.org/wiki/Imidazole,
Imidazole | C3H4N2 – PubChem

Du, Junyi published the artcileA novel manganese(III)-peroxo complex bearing a proline-derived pentadentate aminobenzimidazole ligand, Recommanded Product: 2-(Chloromethyl)-1-methyl-1H-benzo[d]imidazole, the publication is Chinese Chemical Letters (2018), 29(12), 1869-1871, database is CAplus.

Manganese(III)-peroxo complexes are invoked as key intermediates in the enzymic cycles of Mn-containing enzymes, and the synthesis of reactive manganese(III)-peroxo complexes with rationally designed ligand was of great interest in the communities of bioinorganic and biomimetic chem. Herein, the authors designed a novel pentadentate aminobenzimidazole ligand and obtained its manganese(II) complex, which was successfully applied in the synthesis of a reactive manganese(III)-peroxo complex by treatment with hydrogen peroxide in the presence of triethylamine. The manganese(III)-peroxo complex was well characterized with various spectroscopic techniques, including UV-visible spectrophotometry, cold-spray ionization time-of-flight mass spectrometry (CSI-TOF MS), and continuous wave ESR (CW-EPR) spectroscopy. Besides, its reactivity in aldehyde deformylation was studied, demonstrating second-order kinetics in the reaction with 2-phenylpropionaldehyde and affording acetophenone as the sole product.

Chinese Chemical Letters published new progress about 4760-35-4. 4760-35-4 belongs to imidazoles-derivatives, auxiliary class Chloride,Benzimidazole, name is 2-(Chloromethyl)-1-methyl-1H-benzo[d]imidazole, and the molecular formula is C9H9ClN2, Recommanded Product: 2-(Chloromethyl)-1-methyl-1H-benzo[d]imidazole.

Referemce:
https://en.wikipedia.org/wiki/Imidazole,
Imidazole | C3H4N2 – PubChem

Shen, Duyi published the artcileA Mononuclear Manganese Complex of a Tetradentate Nitrogen Ligand – Synthesis, Characterizations, and Application in the Asymmetric Epoxidation of Olefins, HPLC of Formula: 4760-35-4, the publication is European Journal of Inorganic Chemistry (2014), 2014(33), 5777-5782, database is CAplus.

A new chiral manganese complex (C1) bearing a tetradentate nitrogen ligand containing chiral bipyrrolidine and benzimidazole moieties was prepared The structure of C1 was confirmed by ESI-MS and crystallog. This manganese complex is an active catalyst for the asym. epoxidation of various olefins with excellent conversion (up to 99 %) and high enantiomeric excess (up to 96% ee) with hydrogen peroxide as the oxidant in the presence of 2-ethylhexanoic acid or acetic acid. Compared with previous structurally similar manganese complexes with different diamine backbones (C2, cyclohexanediamine; C3, diamine from L-proline), C1 showed improved asym. induction, especially for simple olefins such as styrene derivatives and substituted chromene. The possible reasons for the improvement of the ee values are discussed in the text on the basis of the crystal structures of the manganese complexes.

European Journal of Inorganic Chemistry published new progress about 4760-35-4. 4760-35-4 belongs to imidazoles-derivatives, auxiliary class Chloride,Benzimidazole, name is 2-(Chloromethyl)-1-methyl-1H-benzo[d]imidazole, and the molecular formula is C9H9BrO2, HPLC of Formula: 4760-35-4.

Referemce:
https://en.wikipedia.org/wiki/Imidazole,
Imidazole | C3H4N2 – PubChem

Shen, Duyi published the artcileEfficient Benzylic and Aliphatic C-H Oxidation with Selectivity for Methylenic Sites Catalyzed by a Bioinspired Manganese Complex, Application of 2-(Chloromethyl)-1-methyl-1H-benzo[d]imidazole, the publication is Organic Letters (2014), 16(4), 1108-1111, database is CAplus and MEDLINE.

A benzimidazole-based nonheme manganese complex efficiently catalyzes benzylic, aliphatic C-H as well as tertiary C-H oxidation with hydrogen peroxide as the oxidant in the presence of acetic acid as additive. For example, treating diphenylmethane with H₂O₂ in the presence of the catalyst gave benzophenone in 70% yield. ¹⁸O-Labeling experiments suggest the reaction may proceed via a high-valent manganese-oxo intermediate.

Organic Letters published new progress about 4760-35-4. 4760-35-4 belongs to imidazoles-derivatives, auxiliary class Chloride,Benzimidazole, name is 2-(Chloromethyl)-1-methyl-1H-benzo[d]imidazole, and the molecular formula is C8H14O2, Application of 2-(Chloromethyl)-1-methyl-1H-benzo[d]imidazole.

Referemce:
https://en.wikipedia.org/wiki/Imidazole,
Imidazole | C3H4N2 – PubChem

Wang, Xiaoe published the artcileBioinspired Manganese and Iron Complexes with Tetradentate N Ligands for the Asymmetric Epoxidation of Olefins, Formula: C9H9ClN2, the publication is ChemCatChem (2013), 5(8), 2489-2494, database is CAplus.

The manganese and iron complexes I (M = Mn, Fe) with the tetradentate N ligand (1R,2R)-N,N’-dimethyl-N,N’-bis(1-methyl-2-benzimidazolylmethyl)cyclohexane-1,2-diamine have been synthesized and characterized. The crystal structure of the manganese complex demonstrates a cis-α configuration. Both the manganese and iron complexes are active catalysts for the asym. epoxidation of olefins, e.g. PhCH:CHCOPh, with H₂O₂ as an oxidant and acetic acid as an additive. Up to 96 % ee was observed for the epoxidation of α,β-unsaturated ketones at -20 °C.

ChemCatChem published new progress about 4760-35-4. 4760-35-4 belongs to imidazoles-derivatives, auxiliary class Chloride,Benzimidazole, name is 2-(Chloromethyl)-1-methyl-1H-benzo[d]imidazole, and the molecular formula is C26H26N4O7, Formula: C9H9ClN2.

Referemce:
https://en.wikipedia.org/wiki/Imidazole,
Imidazole | C3H4N2 – PubChem

Perez, Viridiana published the artcileDicopper(II) complexes of chiral C₂-symmetric diamino-bis(2-methylpyridyl) and diamino-bis(2-methylbenzimidazolyl) ligands, HPLC of Formula: 4760-35-4, the publication is Inorganic Chemistry Communications (2011), 14(2), 389-391, database is CAplus.

Reaction of the chiral ligands (1S,4S)-2,5-bis(2-pyridylmethyl)-2,5-diazabicyclo[2.2.1]heptane (L¹), and (1S,4S)-2,5-bis(2-benzimidazolylmethyl)-2,5-diazabicyclo[2.2.1]heptane (L²) with Cu(II) acetate results in the hydroxo-bridged dicopper complexes [(L¹)Cu₂(μ-OH)(H₂O)(OAc)₂Cl] (1-Cl,H₂O), and [(L²)Cu(μ-OH)(H₂O)(MeOH)(OAc)₂]OAc (2-H₂O,MeOH). Both chiral complexes were characterized spectroscopically, as well as in the solid state by x-ray crystallog. Crystal data of 1-Cl,H₂O: monoclinic, P2₁, a = 9.861(1), b = 8.9138(1), c = 15.38(2) Å, β = 95.387(2)°, Z = 2, 4907 independent reflections, R₁[I â‰?2σ(I)] = 0.0405, wR(F²) = 0.0897; of 2-H₂O,MeOH: orthorhombic, P2₁2₁2₁, a = 11.3501(12), b = 15.2063(16), c = 23.227(2) Å, Z = 4, 7305 independent reflections, R₁[I â‰?2σ(I)] = 0.0491, wR(F²) = 0.0987.

Inorganic Chemistry Communications published new progress about 4760-35-4. 4760-35-4 belongs to imidazoles-derivatives, auxiliary class Chloride,Benzimidazole, name is 2-(Chloromethyl)-1-methyl-1H-benzo[d]imidazole, and the molecular formula is C9H9ClN2, HPLC of Formula: 4760-35-4.

Referemce:
https://en.wikipedia.org/wiki/Imidazole,
Imidazole | C3H4N2 – PubChem

Casella, Luigi published the artcileFunctional Modeling of Tyrosinase. Mechanism of Phenol ortho-Hydroxylation by Dinuclear Copper Complexes, Category: imidazoles-derivatives, the publication is Inorganic Chemistry (1996), 35(26), 7516-7525, database is CAplus.

The copper-mediated oxygenation of Me 4-hydroxybenzoate in acetonitrile has been investigated by employing a series of dinuclear copper(I) complexes with polybenzimidazole ligands. The reaction mimics the activity of the copper enzyme tyrosinase, since the initial product of the reaction is the o-catechol, Me 3,4-dihydroxybenzoate. The ligand systems investigated include α,α’-bis{bis[2-(1-methyl-2-benzimidazolyl)ethyl]amino}-m-xylene (L-66) α,α’-bis{bis[2-(1-methyl-2-benzimidazolyl)methyl]amino}-m-xylene (L-55), α,α’-bis{[(1-methyl-2-benzimidazolyl)methyl][2-(1-methyl-2-benzimidazolyl)ethyl]amino}-m-xylene (L-56), and α,α’-bis{[(2-pyridyl)methyl][2-(1-methyl-2-benzimidazolyl)ethyl]amino}-m-xylene (L-5p6). The most effective among the dicopper(I) complexes is that derived from L-66, while its mononuclear Cu(I) analog, with the ligand N,N-bis[2-(1-methyl-2-benzimidazolyl)ethyl]amine is inactive in the monooxygenase reaction. The catechol, Me 3,4-dihydroxybenzoate is the only product of phenol hydroxylation when the reaction is carried out at low temperature (-40°). As the temperature is increased, Me 2-[4-(carbomethoxy)phenoxy]-3,4-dihydroxybenzoate, formally resulting from Michael addition of the starting phenol to 4-carbomethoxy-1,2-benzoquinone and probably resulting from the reaction between free phenolate and some intermediate copper-catecholate species, becomes a major product of the reaction. To gain insight into the mechanism of the reaction, the dicopper(I)-phenolate adducts and dicopper(II)-catecholate adducts of the L-66, L-55, and L-6 complexes have been studied. In a few cases the adducts containing catecholate monoanion or catecholate dianion have been isolated and spectrally characterized. It has been shown that the final product of the monooxygenase reaction corresponds to the dicopper(II)-catecholate dianion complex. A mechanism for the biomimetic phenol ortho-hydroxylation has been proposed and its possible relevance for tyrosinase discussed.

Inorganic Chemistry published new progress about 4760-35-4. 4760-35-4 belongs to imidazoles-derivatives, auxiliary class Chloride,Benzimidazole, name is 2-(Chloromethyl)-1-methyl-1H-benzo[d]imidazole, and the molecular formula is C9H9ClN2, Category: imidazoles-derivatives.

Referemce:
https://en.wikipedia.org/wiki/Imidazole,
Imidazole | C3H4N2 – PubChem

Cante-Mota, Ivon published the artcileBenzimidazole-derived Calix[4]arenes with Polymerizable Styrene Groups and Their Cu(II) Complexes, Quality Control of 4760-35-4, the publication is Inorganica Chimica Acta (2013), 11-18, database is CAplus.

P-tert-Butylcalix[4]arene [C4(OH)₄] was substituted with one to four benzimidazole groups at the phenolic positions affording the compounds C4(OH)₃(OBzIm)-C4(OBzIm)₄. The solid-state structures confirmed the cone conformation of all derivatives A tetrasubstituted calix[4]arene with two benzimidazole groups and two 4-methylenestyryl in distal positions C4(OStyr)₂(OBzIm)₂, which are amenable for polymerization reactions, was also obtained. The monobenzimidazole compound C4(OH)₃(OBzIm) reverts to a partial-cone conformation on binding CuCl₂, giving rise to the dimeric complex [C4(OH)₂(OBzIm)₂]₂[CuCl(μ-Cl)]₂ in the solid state, featuring N and O-coordination from the benzimidazole-N and ethereal-O atoms towards the Cu²⁺ ions placed outside the calixarene cavity. In contrast, the tetrasubstituted C4(OStyr)₂(OBzIm)₂ gives rise to the crystallog.-characterized monomeric complex [C4(OStyr)₂(OBzIm)₂CuCl₂], with the cupric ion located directly above the macrocyclic cavity. This complex has 4-methylenestyryl groups at two distal phenolic positions, ideally poised for further modifications, including polymerization of the copper-containing monomer.

Inorganica Chimica Acta published new progress about 4760-35-4. 4760-35-4 belongs to imidazoles-derivatives, auxiliary class Chloride,Benzimidazole, name is 2-(Chloromethyl)-1-methyl-1H-benzo[d]imidazole, and the molecular formula is C9H9ClN2, Quality Control of 4760-35-4.

Referemce:
https://en.wikipedia.org/wiki/Imidazole,
Imidazole | C3H4N2 – PubChem