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【结 构 式】 
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【分子编号】31445 【品名】N,N-Bis(2-chloroethyl)-N'-methyldiamidophosphoric acid 3-butenyl ester 【CA登记号】 |
【 分 子 式 】C9H19Cl2N2O2P 【 分 子 量 】289.141302 【元素组成】C 37.39% H 6.62% Cl 24.52% N 9.69% O 11.07% P 10.71% |
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：(IV)Condensation of bis(2-chloroethyl)phosphoramidic dichloride (I) with the sodium salt of 3-buten-1-ol (II) gave the O-butenyl phosphoramidate (III), which was subsequently reacted with methylamine to produce the phosphorodiamidate (IV). Ozonization of the double bond of (IV), followed by oxidative workup with H2O2 yielded aldehyde (V). This was finally condensed with 2-mercaptoethanesulfonic acid cyclohexylamine salt (VI) to furnish the title compound.
| 【1】 Moon, K.; Kwon, C.; N3-methyl-mafosfamide as a chemically stable, alternative prodrug of mafosfamide. Bioorg Med Chem Lett 1998, 8, 13, 1673. |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| 11021 | Methanamine; Methylamine | 74-89-5 | CH5N | 详情 | 详情 | |
| (I) | 31443 | (Bis(2-Chloroethyl)amino]phosphoryl dichloride; Bis(2-Chloroethyl)phosphoramidic dichloride | C4H8Cl4NOP | 详情 | 详情 | |
| (II) | 19743 | 3-buten-1-ol | 627-27-0 | C4H8O | 详情 | 详情 |
| (III) | 31444 | [Bis(2-chloroethyl)amino](3-butenyloxy)phosphoryl chloride | C8H15Cl3NO2P | 详情 | 详情 | |
| (IV) | 31445 | N,N-Bis(2-chloroethyl)-N'-methyldiamidophosphoric acid 3-butenyl ester | C9H19Cl2N2O2P | 详情 | 详情 | |
| (V) | 31446 | N,N-Bis(2-chloroethyl)-N'-methyldiamidophosphoric acid 2-formylethyl ester | C8H17Cl2N2O3P | 详情 | 详情 | |
| (VI) | 31447 | 2-mercxaptoethane sulfonic acid cyclothexylamine | C8H19NO3S2 | 详情 | 详情 |
Extended Information