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【结 构 式】 
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【分子编号】38552 【品名】6-butyl-2-hydroxynicotinonitrile 【CA登记号】 |
【 分 子 式 】C10H12N2O 【 分 子 量 】176.21816 【元素组成】C 68.16% H 6.86% N 15.9% O 9.08% |
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：(II)The intermediate 3-(6-butyl-3-formylpyridin-2-yl)-2(E)-propenoic acid tert-butyl ester (VI) has been obtained as follows: the alhylation of 2-hydroxy-6-methylpyridine-3-carbonitrile (I) with propyl bromide and LDA gives 6-butyl-2-hydroxypyridine-3-carbonitrile (II), which is brominated with tetrabutylammonium bromide and P2O5 yielding the 2-bromo-6-butylpyridine-3-carbonitrile (III). The reduction of (III) with DIBAL affords the corresponding aldehyde (IV), which is finally condensed with tert-butyl acrylate (V) by means of allyl palladium chloride dimer to furnich the target intermediate (VI).
| 【1】 Song, Z.J.; et al.; Practical asymetric synthesis of an endothelin receptor antagonist. J Org Chem 1999, 64, 26, 9658. |
| 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) | 38551 | 2-hydroxy-6-methylnicotinonitrile | C7H6N2O | 详情 | 详情 | |
| (II) | 38552 | 6-butyl-2-hydroxynicotinonitrile | C10H12N2O | 详情 | 详情 | |
| (III) | 27562 | 2-bromo-6-butylnicotinonitrile | C10H11BrN2 | 详情 | 详情 | |
| (IV) | 27563 | 2-bromo-6-butylnicotinaldehyde | C10H12BrNO | 详情 | 详情 | |
| (V) | 12760 | tert-butyl acrylate | 1663-39-4 | C7H12O2 | 详情 | 详情 |
| (VI) | 27564 | tert-butyl (E)-3-(6-butyl-3-formyl-2-pyridinyl)-2-propenoate | C17H23NO3 | 详情 | 详情 |
Extended Information