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【结 构 式】 
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【分子编号】60730 【品名】2-[3-(tert-butylamino)-2-(tetrahydro-2H-pyran-2-yloxy)propoxy]benzonitrile 【CA登记号】 |
【 分 子 式 】C19H28N2O3 【 分 子 量 】332.443 【元素组成】C 68.65% H 8.49% N 8.43% O 14.44% |
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)It can be prepared in several different ways: 1) By reaction of the 1-(2-cyanophenoxy)-2-hydroxy-3-bromopropane (I) with N,N'-di-tert-butylurea (A) in tetralin at 200 C. 2) By condensation of the 1-(2-cyanophenoxy)-2-hydroxy-3-bromopropane (I) with dihydropyrane (B) to the corresponding tetrahydropyranyl ether (III), which is condensed with tert-butylamine (C) in benzene to 1-(2-cyanophenoxy)-3-tert-butylaminopropanol-2-tetrahydropyranyl ether (IV) (oxalate, m.p. 102-5 C), which is finally hydrolyzed with diluted HCl at 100 C.
| 【1】 Koeppe, H.; et al. (Boehringer Ingelheim GmbH.); ZA 6803783 . |
| 【2】 Castaner, J.; Chatterjee, S.S.; Bunitrolol. Drugs Fut 1976, 1, 5, 210. |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (B) | 13684 | 3,4-Dihydro-2H-pyran;2,3-Dihydro-4H-pyran; 5,6-Dihydro-4H-pyran;Dihydropyran | 110-87-2 | C5H8O | 详情 | 详情 |
| (A) | 60731 | N,N'-di(tert-butyl)urea | C9H20N2O | 详情 | 详情 | |
| (I) | 60728 | 2-(3-bromo-2-hydroxypropoxy)benzonitrile | C10H10BrNO2 | 详情 | 详情 | |
| (II) | 60729 | 2-[3-bromo-2-(tetrahydro-2H-pyran-2-yloxy)propoxy]benzonitrile | C15H18BrNO3 | 详情 | 详情 | |
| (IV) | 60730 | 2-[3-(tert-butylamino)-2-(tetrahydro-2H-pyran-2-yloxy)propoxy]benzonitrile | C19H28N2O3 | 详情 | 详情 | |
| (C) | 17895 | 2-Amino-2-methylpropane; tert-butylamine; 2-methyl-2-propanamine | 75-64-9 | C4H11N | 详情 | 详情 |
Extended Information