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【结 构 式】 
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【分子编号】41887 【品名】2-[(diisopropoxyphosphoryl)methoxy]ethyl 4-methylbenzenesulfonate 【CA登记号】 |
【 分 子 式 】C16H27O7PS 【 分 子 量 】394.425942 【元素组成】C 48.72% H 6.9% O 28.39% P 7.85% S 8.13% |
与该中间体有关的原料药合成路线共 2 条
合成路线1
该中间体在本合成路线中的序号：(II)Alkylation of 2-amino-6-chloropurine (I) with tosylate (II) afforded the phosphonomethoxyethyl purine (III). Subsequent displacement of the chloro atom of (III) by cyclopropylamine (IV) furnished diaminopurine (V). The isopropyl protecting groups of (IV) were finally cleaved by treatment with bromotrimethylsilane.
| 【1】 Holy, A.; De Clercq, E.D.A. (Institute of Organic Chemistry and Biochemistry; Stichting Rega Vzw); N6-Substd. nucleotide analogues and their use. US 5977061; WO 9633200 . |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (I) | 11644 | 6-Chloro-9H-purin-2-amine; 6-Chloro-9H-purin-2-ylamine; 2-Amino-6-chloropurine | 10310-21-1 | C5H4ClN5 | 详情 | 详情 |
| (II) | 41887 | 2-[(diisopropoxyphosphoryl)methoxy]ethyl 4-methylbenzenesulfonate | C16H27O7PS | 详情 | 详情 | |
| (III) | 41888 | diisopropyl [2-(2-amino-6-chloro-9H-purin-9-yl)ethoxy]methylphosphonate | C14H23ClN5O4P | 详情 | 详情 | |
| (IV) | 12263 | Cyclopropylamine; Cyclopropanamine | 765-30-0 | C3H7N | 详情 | 详情 |
| (V) | 41889 | diisopropyl [2-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]ethoxy]methylphosphonate | C17H29N6O4P | 详情 | 详情 |
合成路线2
该中间体在本合成路线中的序号：(II)In an alternative method for preparing precursor (V), 2-amino-6-chloropurine (I) was first treated with cyclopropylamine (IV) to give diaminopurine (VI), and then alkylated with tosylate (II).
| 【1】 Holy, A.; De Clercq, E.D.A. (Institute of Organic Chemistry and Biochemistry; Stichting Rega Vzw); N6-Substd. nucleotide analogues and their use. US 5977061; WO 9633200 . |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (I) | 11644 | 6-Chloro-9H-purin-2-amine; 6-Chloro-9H-purin-2-ylamine; 2-Amino-6-chloropurine | 10310-21-1 | C5H4ClN5 | 详情 | 详情 |
| (II) | 41887 | 2-[(diisopropoxyphosphoryl)methoxy]ethyl 4-methylbenzenesulfonate | C16H27O7PS | 详情 | 详情 | |
| (IV) | 12263 | Cyclopropylamine; Cyclopropanamine | 765-30-0 | C3H7N | 详情 | 详情 |
| (V) | 41889 | diisopropyl [2-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]ethoxy]methylphosphonate | C17H29N6O4P | 详情 | 详情 | |
| (VI) | 41890 | N-(2-amino-9H-purin-6-yl)-N-cyclopropylamine; N(6)-cyclopropyl-9H-purine-2,6-diamine | C8H10N6 | 详情 | 详情 |
Extended Information