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【结 构 式】

【分子编号】58513

【品名】N-(3-amino-3-oxopropyl)-2-sulfanylbenzamide

【CA登记号】

【 分 子 式 】C10H12N2O2S

【 分 子 量 】224.28356

【元素组成】C 53.55% H 5.39% N 12.49% O 14.27% S 14.3%

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:(V)

2,2'-Dithiosalicylic acid (I) is activated as the bis-succinimidyl ester (II) upon treatment with N-hydroxysuccinimide and DIC. Coupling of the active ester (II) with 3-aminopropionamide (III) gives rise to the corresponding dithiosalicylamide (IV). Reductive cleavage of the disulfide bond of (IV) using tris(2-carboxyethyl)phosphine (TCEP) affords thiol (V). The desired thiolcarbamate is then obtained by condensation of (V) with tert-butyl isocyanate in DMF.

1 Goel, A.; et al.; Benzamide-based thiocarbamates: A new class of HIV-1 NCp7 inhibitors. Bioorg Med Chem Lett 2002, 12, 5, 767.
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) 20404 2-[(2-carboxyphenyl)disulfanyl]benzoic acid; 2,2'-Dithiodibenzoic acid 119-80-2 C14H10O4S2 详情 详情
(II) 58510 1-({2-[(2-{[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl}phenyl)disulfanyl]benzoyl}oxy)-2,5-pyrrolidinedione C22H16N2O8S2 详情 详情
(III) 58511 3-aminopropanamide C3H8N2O 详情 详情
(IV) 58512 N-(3-amino-3-oxopropyl)-2-[(2-{[(3-amino-3-oxopropyl)amino]carbonyl}phenyl)disulfanyl]benzamide C20H22N4O4S2 详情 详情
(V) 58513 N-(3-amino-3-oxopropyl)-2-sulfanylbenzamide C10H12N2O2S 详情 详情
Extended Information