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【结 构 式】 
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【分子编号】62408 【品名】1-[2-(chloromethyl)phenyl]-4-methyl-2-phenylpiperazine 【CA登记号】 |
【 分 子 式 】C18H21ClN2 【 分 子 量 】300.83092 【元素组成】C 71.87% H 7.04% Cl 11.78% N 9.31% |
合成路线1
该中间体在本合成路线中的序号：(XXII)In a different method, reaction of styrene oxide (XV) with methylamine provided amino alcohol (XVI), which was further condensed with ethylene oxide (XVII) to afford amino diol (XVIII). Alternatively, diol (XVIII) was prepared by a more direct procedure by condensation of epoxide (XV) with 2-(methylamino)ethanol (XIX). Chlorination of (XVIII) employing SOCl2 yielded the dichloro derivative (XX), which was subsequently condensed with 2-aminobenzyl alcohol (X) leading to piperazine (XXI). Cyclization of (XXI) to the title compound was accomplished by treatment with hot polyphosphoric acid. Optionally, alcohol (XXI) was converted to chloride (XXII), which was then cyclized in the presence of AlCl3. In a related method, alcohol (XXI) was esterified with AcOH, and the resultant acetate ester (XXIII) was then cyclized in the presence of polyphosphoric acid
| 【1】 Olivié, J.; Synthesis for the preparation of tetracyclic cpds.. US 4217452 . |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (X) | 18619 | (2-aminophenyl)methanol; 2-Amino-benzenemethanol；2-Hydroxymethyl aniline;2-aminobenzyl alcohol;o-Aminobenzyl 2-aminobenzylalcohol;alcohol; 2-aminobenzenemethanol; 2-aminobenzyl alcohol | 5344-90-1 | C7H9NO | 详情 | 详情 |
| (XV) | 23017 | 2-phenyloxirane | 96-09-3 | C8H8O | 详情 | 详情 |
| (XVI) | 62404 | 2-(methylamino)-1-phenyl-1-ethanol | C9H13NO | 详情 | 详情 | |
| (XVII) | 10393 | Oxirane; Ethylene oxide | 75-21-8 | C2H4O | 详情 | 详情 |
| (XVIII) | 62405 | 2-[(2-hydroxyethyl)(methyl)amino]-1-phenyl-1-ethanol | C11H17NO2 | 详情 | 详情 | |
| (XIX) | 13324 | 2-Methylaminoethanol; 2-(Methylamino)-1-ethanol | 109-83-1 | C3H9NO | 详情 | 详情 |
| (XX) | 62406 | 2-chloro-N-(2-chloroethyl)-N-methyl-2-phenyl-1-ethanamine; N-(2-chloroethyl)-N-(2-chloro-2-phenylethyl)-N-methylamine | C11H15Cl2N | 详情 | 详情 | |
| (XXI) | 62407 | [2-(4-methyl-2-phenyl-1-piperazinyl)phenyl]methanol | C18H22N2O | 详情 | 详情 | |
| (XXII) | 62408 | 1-[2-(chloromethyl)phenyl]-4-methyl-2-phenylpiperazine | C18H21ClN2 | 详情 | 详情 | |
| (XXIII) | 62409 | 2-(4-methyl-2-phenyl-1-piperazinyl)benzyl acetate | C20H24N2O2 | 详情 | 详情 |