3-chloro-5-([4-[2,6-di(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]methyl)benzonitrile -Drug Synthesis Database

【结构式】

【分子编号】26077

【品名】3-chloro-5-([4-[2,6-di(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]methyl)benzonitrile

【CA登记号】

【分子式】C₂₄H₃₀ClN₇

【分子量】452.00208

【元素组成】C 63.77% H 6.69% Cl 7.84% N 21.69%

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 2,4-bis(1-pyrrolidinyl)-6-(1-piperazinyl)pyrimidine (I) with 3-(bromomethyl)-5-chlorobenzonitrile (II) gives the disubstituted piperazine derivative (III). The partial hydrolysis of the CN group of (III) with methanol/HCl yiedls the iminoether (IV), which is condensed with 4-pyridylcarbonylhydrazide (V) to afford the amidrazone (VI). Finally, this compound is cyclized by heating.

参考文献中间体

合成目标

【1】 van der Goot, H.; et al.; New antioxidants with strong free radical scavenging and xanthine oxidase inhibiting activity. 15th European Federation for Medicinal Chemistry International Symposium on Medicinal Chemistry (Sept 6 1998, Edinburgh) 1998, Abst P.243.

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)	26075	4-(1-piperazinyl)-2,6-di(1-pyrrolidinyl)pyrimidine		C₁₆H₂₆N₆	详情	详情
(II)	26076	3-(bromomethyl)-5-chlorobenzonitrile		C₈H₅BrClN	详情	详情
(III)	26077	3-chloro-5-([4-[2,6-di(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]methyl)benzonitrile		C₂₄H₃₀ClN₇	详情	详情
(IV)	26078	methyl 3-chloro-5-([4-[2,6-di(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]methyl)benzenecarboximidoate		C₂₅H₃₄ClN₇O	详情	详情
(V)	26079	Isonicotinohydrazide	54-85-3	C₆H₇N₃O	详情	详情
(VI)	26080	N'-[[3-chloro-5-([4-[2,6-di(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]methyl)phenyl](imino)methyl]isonicotinohydrazide		C₃₀H₃₇ClN₁₀O	详情	详情

Extended Information