|
【结 构 式】 
|
【分子编号】29734 【品名】4-(tert-butyl)phenol 【CA登记号】98-54-4 |
【 分 子 式 】C10H14O 【 分 子 量 】150.22056 【元素组成】C 79.96% H 9.39% O 10.65% |
与该中间体有关的原料药合成路线共 2 条
合成路线1
该中间体在本合成路线中的序号：(II)By esterification of trans-4-guanidinomethylcyclohexanecarboxylic acid (I) with 4-tert-butylphenol (II) using dicyclohexylcarbodiimide as condensing agent.
| 【1】 Muramatsu, M.; et al.; Guanidinocyclohexanecarboxylic acid derivatives. BE 0891790; CH 652119; DE 3201817; FR 2498183; US 4465851 . |
| 【2】 Serradell, M.N.; Castaner, J.; NCO-650. Drugs Fut 1984, 9, 8, 589. |
合成路线2
该中间体在本合成路线中的序号：(I)The Friedel-Kraft's condensation of 4-tert-butylphenol (I) with propionyl chloride (II) by means of FeCl3 in methylene chloride gives 2-hydroxy-5-tert-butylpropiophenone (III), which is then condensed with chloroacetylaminomethanol (IV) by means of H2SO4 in acetic acid affording 3-(chloroacetylaminomethyl)-5-tert-butyl-2-hydroxypropiophenone (V). Finally, this compound is hydrolyzed with HCl in methanol.
| 【1】 Hashimoto, K.; ONO-3144. Drugs Fut 1985, 10, 10, 825. |
| 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) | 29734 | 4-(tert-butyl)phenol | 98-54-4 | C10H14O | 详情 | 详情 |
| (II) | 15967 | propanoyl chloride; propionyl chloride | 79-03-8 | C3H5ClO | 详情 | 详情 |
| (III) | 29735 | 1-[5-(tert-butyl)-2-hydroxyphenyl]-1-propanone | C13H18O2 | 详情 | 详情 | |
| (IV) | 23020 | 2-chloro-N-(hydroxymethyl)acetamide | 2832-19-1 | C3H6ClNO2 | 详情 | 详情 |
| (V) | 29736 | N-[5-(tert-butyl)-2-hydroxy-3-propionylbenzyl]-2-chloroacetamide | C16H22ClNO3 | 详情 | 详情 |
Extended Information