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【结 构 式】

【分子编号】33260

【品名】N,N-diethyl-N-(1H-imidazol-2-ylmethyl)amine; 2-Diethylaminomethylimidazole; N-ethyl-N-(1H-imidazol-2-ylmethyl)-1-ethanamine

【CA登记号】

【 分 子 式 】C8H15N3

【 分 子 量 】153.22732

【元素组成】C 62.71% H 9.87% N 27.42%

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:(III)

Compound can be prepared in two different ways: 1) The Sandmeyer reaction of 2-amino-5-nitro-2'-chlorobenzophenone (I) with HCl, NaNO2 and CuCl gives 2,2'-dichloro-5-nitrobenzophenone (II), which is condensed with 2-diethylaminomethylimidazole (III) by means of NaH in DMF to afford the free base of Y-9179 (IV). Finally, this compound is treated with fumaric acid (B). 2) The treatment of 1-[2-(2-chlorobenzoyl)-4-nitrophenyl]-2-hydroxymethyl-imidazole (V) with SOCl2 gives the corresponding 2-chloromethyl derivative (VI), which is then treated with diethylamine (A) and Na2CO3 in benzene-DMF at 60 C.

1 Nakanishi, M.; et al. (Welfide Corporation); 1-[2-(2-Chlorobenzoyl)-4-nitrophenyl]-2-(diethylaminomethyl)imidazole. US 3915981 .
2 Roberts, P.J.; Castaner, J.; Y-9179. Drugs Fut 1979, 4, 2, 148.
中间体序号 中间体编号 品名 CAS号 分子式 供应商 用于合成
(B) 23808 Fumaric acid; (E)-2-butenedioic acid 110-17-8 C4H4O4 详情 详情
(A) 24486 Diethylamine; N,N-Diethylamine 109-89-7 C4H11N 详情 详情
(I) 33258 2-Amino-2'-chloro-5-nitrobenzophenone; (2-Amino-5-nitrophenyl)(2-chlorophenyl)methanone; 2-Amino-5-nitro-2'-chlorobenzophenone 2011-66-7 C13H9ClN2O3 详情 详情
(II) 33259 (2-Chloro-5-nitrophenyl)(2-chlorophenyl)methanone; 2,2'-Dichloro-5-nitrobenzophenone C13H7Cl2NO3 详情 详情
(III) 33260 N,N-diethyl-N-(1H-imidazol-2-ylmethyl)amine; 2-Diethylaminomethylimidazole; N-ethyl-N-(1H-imidazol-2-ylmethyl)-1-ethanamine C8H15N3 详情 详情
(IV) 33261 (2-chlorophenyl)(2-[2-[(diethylamino)methyl]-1H-imidazol-1-yl]-5-nitrophenyl)methanone C21H21ClN4O3 详情 详情
(V) 33262 1-[2-(2-Chlorobenzoyl)-4-nitrophenyl]-2-hydroxymethyl-imidazole; (2-Chlorophenyl)[2-[2-(hydroxymethyl)-1H-imidazol-1-yl]-5-nitrophenyl]methanone C17H12ClN3O4 详情 详情
(VI) 33263 [2-[2-(chloromethyl)-1H-imidazol-1-yl]-5-nitrophenyl](2-chlorophenyl)methanone C17H11Cl2N3O3 详情 详情
Extended Information