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【结 构 式】 
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【分子编号】23789 【品名】N-[(1S,2S)-2-aminocyclohexyl]-7-oxo-7H-benzo[e]perimidine-4-carboxamide 【CA登记号】 |
【 分 子 式 】C22H20N4O2 【 分 子 量 】372.42656 【元素组成】C 70.95% H 5.41% N 15.04% O 8.59% |
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：(IV)Treatment of 7-oxo-7H-benzo[e]perimidine-4-carboxylic acid (I) with carbonyldiimidazole produced the corresponding acyl imidazolide (II). Reaction of this intermediate with 1,2-cyclohexanediamine (III) in DMF at 50 C afforded a mixture of amide (IV) and the title hexacyclic compound (V), which were separated by means of preparative HPLC. Alternatively, imidazolide (II) was first coupled with one equivalent of diamine (III) in DMF at r.t. to give amide (IV), which was then converted into the title compound by treatment with an excess of diamine (III) at 50 C.
| 【1】 Dhanoa, D.S.; Luthin, D.R.; May, J.M.; Rabinovich, A.K.; Youngblood, K.L.; Bhumralkar, D.R.; Bychowski, R.A.; Synthesis and biological activity of oxo-7H-benzo[. Bioorg Med Chem Lett 1999, 9, 5, 765. |
| 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) | 23786 | 7-oxo-7H-benzo[e]perimidine-4-carboxylic acid | 65359-16-2 | C16H8N2O3 | 详情 | 详情 |
| (II) | 23787 | 4-(1H-imidazol-1-ylcarbonyl)-7H-benzo[e]perimidin-7-one | C19H10N4O2 | 详情 | 详情 | |
| (III) | 23788 | (1S,2S)-2-aminocyclohexylamine; (1S,2S)-1,2-cyclohexanediamine | 21436-03-3 | C6H14N2 | 详情 | 详情 |
| (IV) | 23789 | N-[(1S,2S)-2-aminocyclohexyl]-7-oxo-7H-benzo[e]perimidine-4-carboxamide | C22H20N4O2 | 详情 | 详情 | |
| (V) | 23790 | (9aR,13aR)-N-[(1S,2S)-2-aminocyclohexyl]-15-oxo-9a,10,11,12,13,13a,14,15-octahydro-9H-benzo[7,8]quinazolino[5,4-ab]phenazine-8-carboxamide | C28H30N6O2 | 详情 | 详情 |
Extended Information