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【结 构 式】

【分子编号】10415

【品名】(3aS,12bS)-2-Methyl-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrole

【CA登记号】

【 分 子 式 】C17H17NO

【 分 子 量 】251.32812

【元素组成】C 81.24% H 6.82% N 5.57% O 6.37%

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)

Several radiolabeled forms of Org-5222 and its metabolite Org-30526 have been synthesized: 1) [5-36Cl]-Org-5222: The nitration of trans-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrole (I) with HNO3/H2SO4 gives the 5-nitro derivative (II), which is reduced with H3PO3 - Pd/C in methanol to the corresponding amino derivative (III). Finally, this compound is deaminated with NaNO2 and [36Cl]-HCl in the presence of powdered Cu.

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
(I) 10415 (3aS,12bS)-2-Methyl-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrole C17H17NO 详情 详情
(II) 10416 (3aS,12bS)-2-Methyl-5-nitro-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrole C17H16N2O3 详情 详情
(III) 10417 (3aS,12bS)-2-Methyl-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrol-5-ylamine; (3aS,12bS)-2-Methyl-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrol-5-amine C17H18N2O 详情 详情
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