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【结 构 式】 
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【分子编号】23253 【品名】N-heptyl-4-neopentylbenzamide 【CA登记号】 |
【 分 子 式 】C19H31NO 【 分 子 量 】289.46128 【元素组成】C 78.84% H 10.79% N 4.84% O 5.53% |
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)The reaction of 4-neopentylbenzoic acid (I) with SOCl2 in refluxing dichloromethane gives the corresponding acid chloride (II) , which is condensed with heptylamine (III) in dichloromethane to yield 4-neopentyl-N-heptylbenzamide (IV). The reduction of (IV) with di(2-methoxyethoxy)sodium aluminum hydride in refluxing toluene affords 4-neopentyl-N-heptylbenzylamine (V), which is finally condensed with 2,4-difluorophenyl isocyanate (VI) in hexane. Compound (II) can also be obtained from neopentylbenzene (VII) and oxalyl chloride in the presence of aluminum chloride.
| 【1】 Schaffer, S.A.; Dutia, M.D.; Largis, E.E.; Katocs, A.S. Jr.; Bloom, J.D.; Wang, C.-H.; De Vries, V.G.; Potential antiatherosclerotic agents. 5. And acyl-. J Med Chem 1986, 29, 1131. |
| 【2】 De Vries, V.G. (American Cyanamid Co.); Antiatherosclerotic ureas and thioureas. BE 0900178; FR 2549473; GB 2149394; US 4623662 . |
| 【3】 Castaner, J.; Prous, J.; CL-277082. Drugs Fut 1987, 12, 6, 527. |
| 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) | 23250 | 4-neopentylbenzoic acid | C12H16O2 | 详情 | 详情 | |
| (II) | 23251 | 4-neopentylbenzoyl chloride | C12H15ClO | 详情 | 详情 | |
| (III) | 23252 | 1-heptanamine; heptylamine | 111-68-2 | C7H17N | 详情 | 详情 |
| (IV) | 23253 | N-heptyl-4-neopentylbenzamide | C19H31NO | 详情 | 详情 | |
| (V) | 23254 | N-(4-neopentylbenzyl)-1-heptanamine; N-heptyl-N-(4-neopentylbenzyl)amine | C19H33N | 详情 | 详情 | |
| (VI) | 23255 | 2,4-difluorophenyl isocyanate; 2,4-difluoro-1-isocyanatobenzene | 59025-55-7 | C7H3F2NO | 详情 | 详情 |
| (VII) | 28162 | 1-neopentylbenzene | 1007-26-7 | C11H16 | 详情 | 详情 |
Extended Information