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【结 构 式】 
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【分子编号】62413 【品名】4-[2-(hydroxymethyl)phenyl]-1-methyl-5-phenyl-2,3-piperazinedione 【CA登记号】 |
【 分 子 式 】C18H18N2O3 【 分 子 量 】310.3526 【元素组成】C 69.66% H 5.85% N 9.03% O 15.47% |
合成路线1
该中间体在本合成路线中的序号：(XXVI)The key intermediate (XXI) was also prepared by several related procedures. Chlorination of aminoalcohol (XVI) gave chloro amine (XXIV), which was condensed with 2-aminobenzyl alcohol (X) to afford diamine (XXV). Then, alkylation of diamine (XXV) with dibromoethane (XIII) in hot pyridine gave rise to the target piperazine (XXI). Alternatively, diamine (XXV) was condensed with ethyl chloroacetate or with diethyl oxalate to produce the mono- or dioxopiperazines (XXVII) and (XXVI), respectively, which were then reduced to (XXI) by means of LiAlH4. Cyclization of alcohol (XXI) to the title compound was achieved by treatment with concentrated sulfuric 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 |
|---|---|---|---|---|---|---|
| 16601 | ethyl chloroacetate; ethyl 2-chloroacetate | 105-39-5 | C4H7ClO2 | 详情 | 详情 | |
| (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 |
| (XIII) | 10252 | 1,2-Dibromoethane; Ethylene dibromide | 106-93-4 | C2H4Br2 | 详情 | 详情 |
| (XVI) | 62404 | 2-(methylamino)-1-phenyl-1-ethanol | C9H13NO | 详情 | 详情 | |
| (XXI) | 62407 | [2-(4-methyl-2-phenyl-1-piperazinyl)phenyl]methanol | C18H22N2O | 详情 | 详情 | |
| (XXIV) | 62410 | C10H16ClN | 详情 | 详情 | ||
| (XXV) | 62411 | (2-{[2-(methylamino)-1-phenylethyl]amino}phenyl)methanol | C16H20N2O | 详情 | 详情 | |
| (XXVI) | 62413 | 4-[2-(hydroxymethyl)phenyl]-1-methyl-5-phenyl-2,3-piperazinedione | C18H18N2O3 | 详情 | 详情 | |
| (XXVII) | 62412 | 1-[2-(hydroxymethyl)phenyl]-4-methyl-6-phenyl-2-piperazinone | C18H20N2O2 | 详情 | 详情 |