1-methyl-4-(methylsulfanyl)-1,4-dihydro-3(2H)-isoquinolinone -Drug Synthesis Database

【结构式】

【分子编号】54970

【品名】1-methyl-4-(methylsulfanyl)-1,4-dihydro-3(2H)-isoquinolinone

【CA登记号】

【分子式】C₁₁H₁₃NOS

【分子量】207.29636

【元素组成】C 63.74% H 6.32% N 6.76% O 7.72% S 15.47%

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)

The intermediate tetrahydroisoquinoline (IV) has been prepared by two synthetic strategies. Condensation of alpha-methyl benzylamine (I) with alpha-chloro-alpha-(methylsulfanyl)acetyl chloride (II) in the presence of SnCl2 furnished the tetrahydroisoquinolinone (III). Reductive cleavage of the methylsulfanyl group of (III) employing Raney-Ni, followed by lactam reduction, provided intermediate (IV).

参考文献中间体

合成目标

【1】 Lee, J.W.; Chae, J.S.; Kim, C.S.; Kim, J.K.; Lim, D.S.; Lee, J.W.; Shon, M.K.; Jo, D.W. (Yuhan Corp.); Quinazoline derivs.. EP 0677049; WO 9414795 .

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)	15148	1-phenylethylamine; DL-a-methylbenzylamine; 1-phenyl-1-ethanamine	618-36-0	C₈H₁₁N	详情	详情
(II)	54969	2-chloro-2-(methylsulfanyl)acetyl chloride		C₃H₄Cl₂OS	详情	详情
(III)	54970	1-methyl-4-(methylsulfanyl)-1,4-dihydro-3(2H)-isoquinolinone		C₁₁H₁₃NOS	详情	详情
(IV)	54971	1-methyl-1,2,3,4-tetrahydroisoquinoline		C₁₀H₁₃N	详情	详情

Extended Information