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【结 构 式】 
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【分子编号】10428 【品名】(3aS,12bS)-5-Chloro-11-iodo-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrole 【CA登记号】 |
【 分 子 式 】C16H13ClINO 【 分 子 量 】397.64253 【元素组成】C 48.33% H 3.3% Cl 8.92% I 31.91% N 3.52% O 4.02% |
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：(XIV)6) [11-3H]-Org-30526: The reaction of Org-5222 (VI) with ethyl chloroformate in refluxing toluene gives the carbamate ester (XII), which is hydrolyzed with HBr to afford Org-30526 (XIII). The iodination of (XIII) with NIS and trifluoromethanesulfonic acid yields the 11-iodo derivative (XIV), which is finally reduced with 3H2 and Pd/C in ethanol.
| 【1】 Wagenaars, G.; Vader, J.; Sperling, E.; Terpstra, A.; Kaspersen, F.; Hilberink, P.; Schlachter, I.; The syntheses of radiolabelled Org 5222 and its main metabolite Org 30526. J Label Compd Radiopharm 1994, 34, 9, 845. |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (VI) | 10420 | (3aS,12bS)-5-Chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrole | C17H16ClNO | 详情 | 详情 | |
| (XII) | 10426 | ethyl (3aS,12bS)-5-chloro-1,3,3a,12b-tetrahydro-2H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrole-2-carboxylate | C19H18ClNO3 | 详情 | 详情 | |
| (XIII) | 10427 | (3aS,12bS)-5-Chloro-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrole | C16H14ClNO | 详情 | 详情 | |
| (XIV) | 10428 | (3aS,12bS)-5-Chloro-11-iodo-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrole | C16H13ClINO | 详情 | 详情 |
Extended Information