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【结 构 式】 
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【分子编号】49821 【品名】ethyl 4-cyano-5-methyl-4-phenylhexanoate 【CA登记号】 |
【 分 子 式 】C16H21NO2 【 分 子 量 】259.34828 【元素组成】C 74.1% H 8.16% N 5.4% O 12.34% |
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：(III)The precursor mesylate (V) was synthesized as follows. Alkylation of phenylacetonitrile (I) using isopropyl bromide in the presence of KOH provided 2-phenylisovaleronitrile (II). Michael addition of ethyl acrylate to the potassium anion of nitrile (II) afforded cyano ester (III). After ester group reduction with LiAlH4, the resultant alcohol (IV) was treated with methanesulfonyl chloride and triethylamine to yield mesylate (V).
| 【1】 Yamamoto, N.; et al.; Discovery of a potent neuron-selective calcium channel blocker: Structure-activity relationships and neuroprotective effects of novel piperazine derivatives. 222nd ACS Natl Meet (Aug 26 2001, Chicago) 2001, Abst MEDI 51. |
| 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) | 17046 | Phenylacetonitrile; 2-phenylacetonitrile; Benzyl cyanide | 140-29-4 | C8H7N | 详情 | 详情 |
| (II) | 49820 | 3-Methyl-2-phenylbutyronitrile; alpha-(iso-Propyl)phenylacetonitrile | 5558-29-2 | C11H13N | 详情 | 详情 |
| (III) | 49821 | ethyl 4-cyano-5-methyl-4-phenylhexanoate | C16H21NO2 | 详情 | 详情 | |
| (IV) | 49822 | 5-hydroxy-2-isopropyl-2-phenylpentanenitrile | C14H19NO | 详情 | 详情 | |
| (V) | 49823 | 4-cyano-5-methyl-4-phenylhexyl methanesulfonate | C15H21NO3S | 详情 | 详情 |
Extended Information