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【结 构 式】 
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【分子编号】63267 【品名】ethyl 2-(1-{2-[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl}-4-piperidinyl)acetate 【CA登记号】 |
【 分 子 式 】C33H43ClN2O8 【 分 子 量 】631.1658 【元素组成】C 62.8% H 6.87% Cl 5.62% N 4.44% O 20.28% |
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：(XI)Acid (IX) is coupled to ethyl 4-piperidineacetate (X) by means of diethylphosphoryl cyanide to give amide (XI). The ethyl ester group of (XI) is then hydrolyzed to the corresponding carboxylic acid (XII) employing NaOH in ethanol. Finally, esterification of the alcohol function of (XII) with acetic anhydride in pyridine gives rise to the target acetate ester.
| 【1】 Miki, T.; Kori, M.; Mabuchi, H.; Tozawa, R.; Nishimoto, T.; Sugiyama, Y.; Teshima, K.; Yukimasa, H.; Synthesis of novel 4,1-benzoxazepine derivatives as squalene synthase inhibitors and their inhibition of cholesterol synthesis. J Med Chem 2002, 45, 20, 4571. |
| 【2】 Yukimasa, H.; Sugiyama, Y.; Tozawa, R. (Takeda Chemical Industries, Ltd.); Benzoxazepine cpds., their production and use as lipid lowering agents. EP 0862562; EP 1097928; JP 1997136880; JP 2001097963; US 6110909; US 6613761; WO 9710224 . |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (IX) | 63265 | 2-[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetic acid | C24H28ClNO7 | 详情 | 详情 | |
| (X) | 28087 | 4-Piperidineacetic acid ethyl ester; ethyl 2-(4-piperidinyl)acetate | C9H17NO2 | 详情 | 详情 | |
| (XI) | 63267 | ethyl 2-(1-{2-[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl}-4-piperidinyl)acetate | C33H43ClN2O8 | 详情 | 详情 | |
| (XII) | 63268 | 2-(1-{2-[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl}-4-piperidinyl)acetic acid | C31H39ClN2O8 | 详情 | 详情 |
Extended Information