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【结 构 式】 
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【分子编号】63206 【品名】3-bromobenzamide 【CA登记号】 |
【 分 子 式 】C7H6BrNO 【 分 子 量 】200.03478 【元素组成】C 42.03% H 3.02% Br 39.95% N 7% O 8% |
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：(II)Hydrolysis of 3-bromobenzonitrile (I) by means of sodium perborate leads to amide (II). Subsequent Suzuki coupling of 3-bromobenzamide (II) with 3-methoxyphenylboronic acid (III) furnishes the biphenyl compound (IV). The methyl ether group of (IV) is then cleaved employing BBr3 to yield phenol (V). This is finally coupled with cyclohexyl isocyanate (VI) to produce the title carbamate.
| 【1】 Kathuria, S.; Gaetani, S.; Fegley, D.; Valiño, M.; Duranti, A.; Tontini, A.; Mor, M.; Tarzia, G.; La Rana, G.; Calignano, A.; Giustino, A.; Tattoli, M.; Palmery, M.; Cuomo, V.; Piomelli, D.; Modulation of anxiety through blockade of anandamide hydrolysis. Nat Med 2003, 9, 1, 76. |
| 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) | 26573 | 3-bromobenzonitrile | 6952-59-6 | C7H4BrN | 详情 | 详情 |
| (II) | 63206 | 3-bromobenzamide | C7H6BrNO | 详情 | 详情 | |
| (III) | 29426 | 3-methoxyphenylboronic acid | 10365-98-7 | C7H9BO3 | 详情 | 详情 |
| (IV) | 63207 | 3'-methoxy[1,1'-biphenyl]-3-carboxamide | C14H13NO2 | 详情 | 详情 | |
| (V) | 63208 | 3'-hydroxy[1,1'-biphenyl]-3-carboxamide | C13H11NO2 | 详情 | 详情 | |
| (VI) | 18108 | 1-isocyanatocyclohexane; cyclohexyl isocyanate | 3173-53-3 | C7H11NO | 详情 | 详情 |
Extended Information