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【结 构 式】 
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【分子编号】61277 【品名】(11aS)-7,8-dimethoxy-5,11-dioxo-10-{[2-(trimethylsilyl)ethoxy]methyl}-5,10,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-2-yl trifluoromethanesulfonate 【CA登记号】 |
【 分 子 式 】C21H27F3N2O8SSi 【 分 子 量 】552.6007696 【元素组成】C 45.64% H 4.92% F 10.31% N 5.07% O 23.16% S 5.8% Si 5.08% |
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：(X)Treatment of ketone (IX) with trifluoromethanesulfonic anhydride and pyridine produces the vinyl triflate (X). This is then subjected to Suzuki coupling with 4-methoxyphenylboronic acid (XI) to yield adduct (XII). Finally, regioselective lactam reduction in (XII) with NaBH4 furnishes the title compound.
| 【1】 Thurston, D.E.; Howard, P.W. (University of Portsmouth); Compounds. EP 1109812; WO 0012508 . |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (IX) | 61276 | (11aS)-7,8-dimethoxy-10-{[2-(trimethylsilyl)ethoxy]methyl}-1H-pyrrolo[2,1-c][1,4]benzodiazepine-2,5,11(3H,10H,11aH)-trione | C20H28N2O6Si | 详情 | 详情 | |
| (X) | 61277 | (11aS)-7,8-dimethoxy-5,11-dioxo-10-{[2-(trimethylsilyl)ethoxy]methyl}-5,10,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-2-yl trifluoromethanesulfonate | C21H27F3N2O8SSi | 详情 | 详情 | |
| (XI) | 39246 | 4-methoxyphenylboronic acid | 5720-07-0 | C7H9BO3 | 详情 | 详情 |
| (XII) | 61278 | (11aS)-7,8-dimethoxy-2-(4-methoxyphenyl)-10-{[2-(trimethylsilyl)ethoxy]methyl}-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H,11aH)-dione | C27H34N2O6Si | 详情 | 详情 |
Extended Information