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【结 构 式】

【分子编号】33353

【品名】5-chloro-3-(2-fluorophenyl)-1H-indole-2-carbonitrile

【CA登记号】

【 分 子 式 】C15H8ClFN2

【 分 子 量 】270.6931032

【元素组成】C 66.56% H 2.98% Cl 13.1% F 7.02% N 10.35%

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:(XIX)

The dehydration of the amide (XVIII) with refluxing POCl3 gives the corresponding nitrile (XIX), which by reduction with LiAlH4 in ether is converted into the 2-aminomethyl derivative (XX). The treatment of (XX) with CrO3 in acetic acid yields 5-(2-fluorophenyl)-7chloro-1,3-dihydro-2H-1,4-benzodiazepin-2-one (XXI) (1,10), which is finally N-alkylated with cyclopropylmethy bromide (A) by means of phenyllithium in THF.

1 Yamamoto, H.; et al.; ZA 6806061 .
2 Okamoto, T.; et al.; Process for producing 1-substituted benzodiazepine derivatives. DE 2151540; FR 2110017; GB 1338106; NL 7114202; US 3832344 .
3 Yamamoto, H.; et al. (Sumitomo Chemical Co., Ltd.); Process for producing benzodiazepine derivatives. US 3632574 .
4 Blancafort, P.; Serradell, M.N.; Castaner, J.; KB-509. Drugs Fut 1979, 4, 10, 720.
中间体序号 中间体编号 品名 CAS号 分子式 供应商 用于合成
(A) 22277 Cyclopropyl bromide; 1-(Bromomethyl)cyclopropane 7051-34-5 C4H7Br 详情 详情
(XVIII) 33352 5-chloro-3-(2-fluorophenyl)-1H-indole-2-carboxamide C15H10ClFN2O 详情 详情
(XIX) 33353 5-chloro-3-(2-fluorophenyl)-1H-indole-2-carbonitrile C15H8ClFN2 详情 详情
(XX) 33354 [5-chloro-3-(2-fluorophenyl)-1H-indol-2-yl]methanamine; [5-chloro-3-(2-fluorophenyl)-1H-indol-2-yl]methylamine C15H12ClFN2 详情 详情
(XXI) 33355 7-chloro-5-(2-fluorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one 2886-65-9 C15H10ClFN2O 详情 详情
Extended Information