89101-27-9Relevant articles and documents
Synthesis and structural analysis of complexes based on α-amino ketone derived from benzimidazole
Albota, Florin,Ferbinteanu, Marilena,Hirtopeanu, Anca,Oprea, Ovidiu Cristian,Stanescu, Michaela Dina,Stanica, Nicolae,Stefanov, Cristina
, (2021)
Two cobalt (II) and nickel (II) coordination compounds have been synthesized starting from 2-(1H-benzimidazol-1-yl)-1-phenylethanone, an α-amino ketone with the N atom belonging to an imidazole ring. The newly synthesized compounds have been characterized by spectral methods (IR, UV-Vis-NIR), thermal analysis, magnetic data and single-crystal X-ray diffraction. The single-crystal X-ray structure of the cobalt (II) complex shows a tetragonal octahedral geometry with four organic ligands in the equatorial plane and two nitrate ions in the axial positions. An interesting feature is the dynamic disordering of the distortions inside the coordination units, due to one intra-molecular hydrogen bond traveling between one nitrate axial ligand and each of the four organic ligands. The electronic structure calculations, in the frame of Density Functional Theory (DFT), are sustaining this hypothesis, revealing optimized molecular geometries less symmetrical than the experimental shape, which is an average over equivalent distortions. The modeled reaction coordinate gave a shallow barrier, 2.36 kcal/mol, for the transformation between the four equivalent geometries corresponding to the intramolecular floppy hydrogen bonding. Entering methodological issues, we showed that the Time Dependent (TD) routines for computing electronic spectra in the DFT frame cannot account completely for ligand field driven d-d transitions. However, with dedicated analysis, useful information on the ligand field scheme can be extracted.
N - alkyne base benzene and preparation method for imidazole derivatives (by machine translation)
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Paragraph 0043-0048; 0225-0229, (2019/01/22)
The invention discloses a preparation method of N-alkynyl benzimidazole derivatives, which comprises the following step: under the atmosphere of protective gas, sequentially adding LiHMDS, diethyl chlorophosphate and LiHMDS into an anhydrous solvent of 1-R1 formyl-methyl 2-R2 benzimidazole as shown in the general formula 2 so as to react to obtain an N-alkynyl benzimidazole derivative as shown in the general formula 1, wherein when LiHMDS is added for reacting, the temperature is controlled at -78-0 DEG C, and after ClP(O)(OEt)2 is added, the system temperature rises to 10-30 DEG C so as to react. The preparation method of the N-alkynyl benzimidazole derivatives has the advantages that (1) substrates can be conveniently prepared through cheap raw materials; (2) the universality is good, and preparation of benzimidazole alkyne amine derivatives containing different substituent combinations can be easily realized; (3) the operation is simple and convenient, and the separation of intermediates is not needed; and (4) target compounds are easy to separate and purify, and the yield is relatively high.
Regioselective oxo-amination of alkenes and enol ethers with N-bromosuccinimide-dimethyl sulfoxide combination: A facile synthesis of α-amino-ketones and esters
Prasad, Pragati K.,Reddi, Rambabu N.,Sudalai, Arumugam
supporting information, p. 500 - 503 (2016/02/18)
An unprecedented conversion of alkenes and enol ethers to the corresponding α-imido carbonyl compounds with excellent regioselectivity and yields has been developed. This oxo-amination process employs readily available N-bromosuccinimide (NBS) and secondary amines as N-sources and dimethyl sulfoxide (DMSO) as the oxidant and also leads to the production of amino alcohols in a single step on reduction, thus broadening the scope of this operationally simple reaction. For the first time, the formation of reactive Me2S+-O-Br species generated by the interaction of NBS with DMSO has been proven.
