N-{2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl}-N-(2-nitrophenyl)amine; N-{2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl}-2-nitroaniline -Drug Synthesis Database

【结构式】

【分子编号】53509

【品名】N-{2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl}-N-(2-nitrophenyl)amine; N-{2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl}-2-nitroaniline

【CA登记号】n/a

【分子式】C₁₉H₂₄N₄O₃

【分子量】356.42472

【元素组成】C 64.03% H 6.79% N 15.72% O 13.47%

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 condensation of 1-(2-aminoethyl)-4-(2-methoxyphenyl)piperazine (I) with 2-chloronitrobenzene (II) by means of K2CO3 in refluxing butanol gives 1-(2-methoxyphenyl)-4-[2-(2-nitrophenylamino)ethyl]piperazine (III), which is finally condensed with cyclohexylcarbonyl chloride (IV) by means of TEA in dichloroethane to afford the target amide.

参考文献中间体

合成目标

【1】 Leonardi, A.; Motta, G.; Testa, R.; Riva, C. (Recordati Industria Chimica e Farmaceutica SpA); 1-(N-Phenylaminoalkyl)-piperazine derivs. substd. at position 2 of the phenyl ring. EP 1000047; JP 2001512112; US 6399614; WO 9906384 .

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)	53508	2-[4-(2-methoxyphenyl)-1-piperazinyl]-1-ethanamine; 2-[4-(2-methoxyphenyl)-1-piperazinyl]ethylamine	n/a	C₁₃H₂₁N₃O	详情	详情
(II)	15248	1-chloro-2-nitrobenzene	88-73-3	C₆H₄ClNO₂	详情	详情
(III)	53509	N-{2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl}-N-(2-nitrophenyl)amine; N-{2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl}-2-nitroaniline	n/a	C₁₉H₂₄N₄O₃	详情	详情
(IV)	17220	cyclohexanecarbonyl chloride; Cyclohexanecarboxylic acid chloride	2719-27-9	C₇H₁₁ClO	详情	详情

Extended Information