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【结 构 式】

【分子编号】47429

【品名】3-phenyl-1(2H)-isoquinolinone

【CA登记号】

【 分 子 式 】C15H11NO

【 分 子 量 】221.25848

【元素组成】C 81.43% H 5.01% N 6.33% O 7.23%

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:(II)

3-Phenylisoquinolinone (II) was synthesized by addition of benzonitrile to the dilithium derivative of N-methyltoluamide (I). Conversion of (II) to the 1-chloroisoquinoline (III) was achieved by heating with POCl3. Then, displacement of the chlorine atom of (III) with N-methylpiperazine (IV) in refluxing DMF furnished the title compound.

1 Park, M.-J.; Chung, B.-H.; Cho, W.-J.; Lee, C.-O.; Yo, S.-J.; Synthesis and antitumor activity of 3-arylisoquinoline derivatives. Arch Pharmacal Res 1997, 20, 3, 264.
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) 47428 N,2-dimethylbenzamide 2170-09-4 C9H11NO 详情 详情
(II) 47429 3-phenyl-1(2H)-isoquinolinone C15H11NO 详情 详情
(III) 47430 1-chloro-3-phenylisoquinoline C15H10ClN 详情 详情
(IV) 10061 1-Methylpiperazine; 1-Methyl piperazine; N-Methylpiperazine 109-01-3 C5H12N2 详情 详情
Extended Information