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【结 构 式】 
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【分子编号】57601 【品名】3,5-dichloro-N-[1-({2-[(2-chloro-3-pyridinyl)amino]-3,4-dioxo-1-cyclobuten-1-yl}amino)-2,2-dimethylpropyl]benzamide 【CA登记号】 |
【 分 子 式 】C21H19Cl3N4O3 【 分 子 量 】481.76512 【元素组成】C 52.36% H 3.98% Cl 22.08% N 11.63% O 9.96% |
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：(IX)Reaction of 3,5-dichlorobenzamide (V) with pivalaldehyde (VI) in the presence of benzotriazole (VII) gives rise to the benzotriazolyl benzamide (VIII). This is then condensed with the diamino cyclobutene (IV) to afford the racemic adduct (IX), which is finally resolved into the enantiomers employing chiral chromatography.
| 【1】 Kort, M.E.; Gregg, R.J.; Perez-Medrano, A.; et al.; Aminal-containing ATP-sensitive potassium channel openers for the treatment of bladder overactivity. 224th ACS Natl Meet (Aug 18 2002, Boston) 2002, Abst MEDI 351. |
| 【2】 Basha, F.Z.; Carroll, W.A.; Kort, M.E.; Gregg, R.J.; Dinges, J.; Perez Medrano, A. (Abbott Laboratories Inc.); Aminal diones as potassium channel openers. US 2002165264; US 6495576; WO 0262761 . |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (IV) | 57597 | 3-amino-4-[(2-chloro-3-pyridinyl)amino]-3-cyclobutene-1,2-dione | C9H6ClN3O2 | 详情 | 详情 | |
| (V) | 57598 | 2-Amino-3,5-dichlorobenzoic acid; 3,5-Dichloroanthranilic acid | 5980-23-4 | C7H5Cl2NO | 详情 | 详情 |
| (VI) | 19797 | Trimethylacetaldehyde; pivalaldehyde; 2,2-Dimethylpropionaldehyde; 2,2-Dimethylpropanal | 630-19-3 | C5H10O | 详情 | 详情 |
| (VII) | 57599 | 1,2,3-Benzotriazole; 1H-Benzotriazole; Azimidobenzene; Benzotriazol | 95-14-7 | C6H5N3 | 详情 | 详情 |
| (VIII) | 57600 | N-[1-(1H-1,2,3-benzotriazol-1-yl)-2,2-dimethylpropyl]-3,5-dichlorobenzamide | C18H18Cl2N4O | 详情 | 详情 | |
| (IX) | 57601 | 3,5-dichloro-N-[1-({2-[(2-chloro-3-pyridinyl)amino]-3,4-dioxo-1-cyclobuten-1-yl}amino)-2,2-dimethylpropyl]benzamide | C21H19Cl3N4O3 | 详情 | 详情 |
Extended Information