1-chloro-3-phenylisoquinoline -Drug Synthesis Database

【结构式】

【分子编号】47430

【品名】1-chloro-3-phenylisoquinoline

【CA登记号】

【分子式】C₁₅H₁₀ClN

【分子量】239.70384

【元素组成】C 75.16% H 4.2% Cl 14.79% N 5.84%

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)

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.

参考文献中间体

合成目标

【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