2-[4-(4-chlorophenyl)-1-piperazinyl]acetonitrile -Drug Synthesis Database

【结构式】

【分子编号】36530

【品名】2-[4-(4-chlorophenyl)-1-piperazinyl]acetonitrile

【CA登记号】

【分子式】C₁₂H₁₄ClN₃

【分子量】235.71608

【元素组成】C 61.15% H 5.99% Cl 15.04% N 17.83%

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 condensation of 1-(4-chlorophenyl)piperazine (I) with 2-chloroacetonitrile (II) gives 2-[4-(4-chlorophenyl)-1-piperazinyl]acetonitrile (III), which is reduced with borane/dimethylsulfide yielding the corresponding primary amine (IV). Finally, (IV) is condensed with 3-methoxybenzoyl chloride.

参考文献中间体

合成目标

【1】 Berardi, F.; Perrone, R.; Tortorella, V.; Leopoldo, M.; Colabufo, N.A.; A structure-affinity relationship study on derivatives of N-[2-[4-(chlorophenyl)piperazin-1-yl]ethyl]-3-methoxybenzamide, a high-affinity and selective D4 receptor ligand. J Med Chem 2000, 43, 2, 270.

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)	33593	1-(4-chlorophenyl)piperazine	38869-46-4	C₁₀H₁₃ClN₂	详情	详情
(II)	14443	2-chloroacetonitrile; chloroacetonitrile	107-14-2	C₂H₂ClN	详情	详情
(III)	36530	2-[4-(4-chlorophenyl)-1-piperazinyl]acetonitrile		C₁₂H₁₄ClN₃	详情	详情
(IV)	28561	2-[4-(4-chlorophenyl)-1-piperazinyl]-1-ethanamine		C₁₂H₁₈ClN₃	详情	详情
(V)	16760	3-methoxybenzoyl chloride	1711-05-3	C₈H₇ClO₂	详情	详情

Extended Information