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【结 构 式】 
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【分子编号】28670 【品名】4-[4-(4-fluorophenyl)-1-piperazinyl]butanenitrile 【CA登记号】 |
【 分 子 式 】C14H18FN3 【 分 子 量 】247.3155432 【元素组成】C 67.99% H 7.34% F 7.68% N 16.99% |
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 reaction of 1-(4-fluorophenyl)piperazine (I) with 4-chlorobutyronitrile (II) by means of Na2CO3 in refluxing acetonitrile gives 4-[4-(4-fluorophenyl) piperazin-1-yl]butyronitrile (III), which is reduced with LiAlH4 in THF yielding 1-(4-aminobutyl)-4-(4-fluorophenyl)piperazine (IV). Finally, this compound is condensed with 2-(diphenylmethylene)succinic anhydride (V) in refluxing acetic acid.
| 【1】 López-Rodríguez, M.L.; Morcillo, M.J.; Rovat, T.K.; Fernández, E.; Sanz, A.M.; Orensanz, L.; 1-[omega-(4-Arylpiperazin-1-yl)alkyl]-3-diphenylmethylene-2,5-pyrrolidinediones as 5-HT1A receptor ligands: Study of the steric requirements of the terminal amide fragment on 5-HT1A affinity/selectivity. Bioorg Med Chem Lett 1998, 8, 6, 581. |
| 【2】 López-Rodríguez, M.L.; Morcillo, M.J.; Rovat, T.K.; Fernandez, E.; Vicente, B.; Sanz, A.M.; Hernandez, M.; Orensanz, L.; Synthesis and structure-activity relationships of a new model of arylpiperazines. 4. 1-[omega-(4-Arylpiperazin-1-yl)alkyl]-3-(diphenylmethylene)-2,5-pyrrolidinediones and -3-(9H-fluoren-9-ylidene)-2,5-pyrrolidinediones: Study of the steric requirements of. J Med Chem 1999, 42, 1, 36. |
| 【3】 K. Rovat, T.; Oesanz Muno, L.M.; Fernandez Velando, E.; Lopez Rodriguez, M.L.; Rosado Samitier, M.L.; Morcillo Ortega, M.J. (Universidad Complutense de Madrid); New imidapiperazine derivs.. ES 2094690 . |
| 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) | 12143 | 1-(4-Fluorophenyl)piperazine | 2252-63-3 | C10H13FN2 | 详情 | 详情 |
| (II) | 11179 | 4-Chlorobutanenitrile; 4-Chlorobutyronitrile | 628-20-6 | C4H6ClN | 详情 | 详情 |
| (III) | 28670 | 4-[4-(4-fluorophenyl)-1-piperazinyl]butanenitrile | C14H18FN3 | 详情 | 详情 | |
| (IV) | 28671 | 4-[4-(4-fluorophenyl)-1-piperazinyl]-1-butanamine | C14H22FN3 | 详情 | 详情 | |
| (V) | 28672 | 3-(dibenzylene)dihydro-2,5-furandione | C17H12O3 | 详情 | 详情 |
Extended Information