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【结 构 式】 
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【分子编号】42240 【品名】11-(4-methyl-1-piperazinyl)dibenzo[b,f][1,4]oxazepine 【CA登记号】 |
【 分 子 式 】C18H19N3O 【 分 子 量 】293.36848 【元素组成】C 73.7% H 6.53% N 14.32% O 5.45% |
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：(I)Loxapine (I) is treated with phosphate (IV) in acetonitrile in the presence of the proton scavenger 1,2,2,6,6-pentamethylpiperidine to afford loxapinium chloride (II), which is finally treated with TFA in benzene to yield the target trifluoroacetate derivative. Phosphate (IV) can be obtained from phosphite (III) by treatment with KHCO3 and KMnO4 followed by conversion to tetramethylammonium di-tert-butylphosphate by means of tetramethylammonium hydroxide and final treatment with chloroiodomethane (A) in refluxing dimethoxyethane.
| 【1】 Krise, J.P.; et al.; Novel prodrug approach for tertiary amines: Synthesis and preliminary evaluation of N-phosphonooxymethyl prodrugs. J Med Chem 1999, 42, 16, 3094. |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (A) | 42238 | chloro(iodo)methane | 593-71-5 | CH2ClI | 详情 | 详情 |
| (I) | 42240 | 11-(4-methyl-1-piperazinyl)dibenzo[b,f][1,4]oxazepine | C18H19N3O | 详情 | 详情 | |
| (II) | 42241 | 4-dibenzo[b,f][1,4]oxazepin-11-yl-1-([[di(tert-butoxy)phosphoryl]oxy]methyl)-1-methylpiperazin-1-ium chloride | C27H39ClN3O5P | 详情 | 详情 | |
| (III) | 42237 | di(tert-butyl) phosphonate | 13086-84-5 | C8H19O3P | 详情 | 详情 |
| (IV) | 42239 | di(tert-butyl) chloromethyl phosphate;di-tert-butyl chloromethyl phosphate；PHOSPHORIC ACI DI-T-BUTYL EXTER CHLOROMETHYL ESTER | 229625-50-7 | C9H20ClO4P | 详情 | 详情 |
Extended Information