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【结 构 式】 
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【分子编号】49826 【品名】2-isopropyl-5-oxo-2-phenylpentanenitrile 【CA登记号】 |
【 分 子 式 】C14H17NO 【 分 子 量 】215.29512 【元素组成】C 78.1% H 7.96% N 6.51% O 7.43% |
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：(X)Alkylation of 1-benzylpiperazine (VI) with 2-(4-fluorophenoxy)ethyl bromide (VII) produced the dialkylated piperazine (VIII). The benzyl protecting group of (VIII) was then removed hydrogenolysis in the presence of Pearlman's catalyst to furnish (IX). The title compound was then obtained by condensation of piperazine (IX) with mesylate (V) or, alternatively, by reductive alkylation of (IX) with aldehyde (X) in the presence of sodium triacetoxyborohydride.
| 【1】 Yamamoto, N.; et al.; Discovery of a potent neuron-selective calcium channel blocker: Structure-activity relationships and neuroprotective effects of novel piperazine derivatives. 222nd ACS Natl Meet (Aug 26 2001, Chicago) 2001, Abst MEDI 51. |
| 【2】 Niidome, T.; Norimine, Y.; Teramoto, T.; Kawano, K.; Kimura, T.; Iimura, Y.; Yamamoto, N.; Suzuki, Y.; Ito, K.; Hatakeyama, S.; Nagato, S.; Komatsu, M. (Eisai Co., Ltd.); N,N-Substd. cyclic amine derivs.. EP 1099692; JP 2000169462; WO 0005210 . |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (V) | 49823 | 4-cyano-5-methyl-4-phenylhexyl methanesulfonate | C15H21NO3S | 详情 | 详情 | |
| (VI) | 28542 | N-Benzylpiperazine; 1-Benzylpiperazine | 2759-28-6 | C11H16N2 | 详情 | 详情 |
| (VII) | 20830 | 1-(2-bromoethoxy)-4-fluorobenzene; 2-bromoethyl 4-fluorophenyl ether | 332-48-9 | C8H8BrFO | 详情 | 详情 |
| (VIII) | 49824 | 1-benzyl-4-[2-(4-fluorophenoxy)ethyl]piperazine; 2-(4-benzyl-1-piperazinyl)ethyl 4-fluorophenyl ether | C19H23FN2O | 详情 | 详情 | |
| (IX) | 49825 | 4-fluorophenyl 2-(1-piperazinyl)ethyl ether; 1-[2-(4-fluorophenoxy)ethyl]piperazine | C12H17FN2O | 详情 | 详情 | |
| (X) | 49826 | 2-isopropyl-5-oxo-2-phenylpentanenitrile | C14H17NO | 详情 | 详情 |
Extended Information