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【结 构 式】 
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【分子编号】41421 【品名】4-(nitrooxy)butyl 5-[(tert-butoxycarbonyl)amino]-2-hydroxybenzoate 【CA登记号】 |
【 分 子 式 】C16H22N2O8 【 分 子 量 】370.35936 【元素组成】C 51.89% H 5.99% N 7.56% O 34.56% |
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)5-Amino-2-hydroxybenzoic acid (I) was protected as the N-Boc derivative (II) by treatment with di-tert-butyl dicarbonate and Et3N. Reaction with triphenylphosphine and carbon tetrabromide in tetrahydrofuran generated the bromobutyl ester (III). After conversion of (III) to the nitroxybutyl ester (IV) by reaction with AgNO3 in refluxing acetonitrile, acid deprotection of the Boc group furnished the title compound.
| 【1】 Del Soldato, P. (NicOx SA); Medicine nitrate salts. WO 0006585 . |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| 41419 | tetrahydrofuran | 109-99-9 | C4H8O | 详情 | 详情 | |
| (I) | 29932 | 5-amino-2-hydroxybenzoic acid | 89-57-6 | C7H7NO3 | 详情 | 详情 |
| (II) | 41418 | 5-[(tert-butoxycarbonyl)amino]-2-hydroxybenzoic acid | C12H15NO5 | 详情 | 详情 | |
| (III) | 41420 | 4-bromobutyl 5-[(tert-butoxycarbonyl)amino]-2-hydroxybenzoate | C16H22BrNO5 | 详情 | 详情 | |
| (IV) | 41421 | 4-(nitrooxy)butyl 5-[(tert-butoxycarbonyl)amino]-2-hydroxybenzoate | C16H22N2O8 | 详情 | 详情 |
Extended Information