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【结 构 式】

【分子编号】36526

【品名】3-pyridinylmethyl 4-[(2-nitroanilino)carbonyl]benzylcarbamate

【CA登记号】

【 分 子 式 】C21H18N4O5

【 分 子 量 】406.39788

【元素组成】C 62.07% H 4.46% N 13.79% O 19.68%

与该中间体有关的原料药合成路线共 1 条

合成路线1

该中间体在本合成路线中的序号:(VII)

The reaction of 4-(aminomethyl)benzoic acid (I) with 3-pyridinylmethanol (II) and CDI by means of DBU and TEA in THF gives the carbamate (III), which is treated with oxalyl chloride in toluene to yield the corresponding acyl chloride (IV). Finally, the condensation of (IV) with 1,2-phenylenediamine (V) by means of imidazole in THF affords the target compound. Alternatively, the condensation of acyl chloride (IV) with 2-nitroaniline (VI) by means of pyridine gives the corresponding amide (VII), which is finally reduced with SnCl2 and ammonium acetate in methanol.

1 Suzuki, T.; Fukazawa, N.; Ando, T.; Tsuchiya, K.; Synthesis and histone deacetylase inhibitory activity of new benzamide derivatives. J Med Chem 1999, 42, 15, 3001.
中间体序号 中间体编号 品名 CAS号 分子式 供应商 用于合成
(I) 27823 4-(aminomethyl)benzoic acid 56-91-7 C8H9NO2 详情 详情
(II) 15798 3-Pyridinemethanol; 3-pyridinylmethanol 100-55-0 C6H7NO 详情 详情
(III) 36524 4-([[(3-pyridinylmethoxy)carbonyl]amino]methyl)benzoic acid C15H14N2O4 详情 详情
(IV) 36525 3-pyridinylmethyl 4-(chlorocarbonyl)benzylcarbamate C15H13ClN2O3 详情 详情
(V) 12824 2-Aminophenylamine; o-Phenylenediamine; 1,2-Benzenediamine 95-54-5 C6H8N2 详情 详情
(VI) 11608 o-Nitroaniline; 2-Nitroaniline; 2-Nitrophenylamine 88-74-4 C6H6N2O2 详情 详情
(VII) 36526 3-pyridinylmethyl 4-[(2-nitroanilino)carbonyl]benzylcarbamate C21H18N4O5 详情 详情
Extended Information