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【结 构 式】 
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【分子编号】68546 【品名】isopropyl α-bromoisobutyrate；Isopropyl 2-bromo-2-methylpropanoate 【CA登记号】51368-55-9 |
【 分 子 式 】C7H13BrO2 【 分 子 量 】209.08302 【元素组成】C 40.21% H 6.27% Br 38.22% O 15.3% |
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)Aldol condensation of 4’-(methylthio)acetophenone (I) with 4-hydroxy-3,5-dimethylbenzaldehyde (II) in the presence of HCl in EtOH yields chalcone (III), which is then alkylated with isopropyl α-bromoisobutyrate (IV) using K2CO3 in refluxing acetonitrile to give ether (V). Finally, isopropyl ester (V) is hydrolyzed using TFA in CH2Cl2 .
| 【1】 Najib, J., Caumont-Bertrand, K. (Genfit SA). Substituted 1,3-diphenylprop-2-en-1-one derivatives, preparation and uses thereof. CA 2490986, EP 1525177, FR 2841900, JP 2005532385, US 2005176808, US 200703243, US 7566737, US 7943661, US 2011190515, US 8058308, WO 2004005233. |
| 【2】 Delhomel, J.-F., Caumont-Bertrand, K. (Genfit SA). Preparation of 1,3-diphenylprop-2-en-1-one derivatives. CA 2531443, CN 1818986, EP 1644312, FR 2857361, JP 2007516189, US 2006142611, US 7385082, WO 2005005369. |
| 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) | 19262 | 1-[4-(methylsulfanyl)phenyl]-1-ethanone；4'-Methylthioacetophenon；4’-(methylthio)acetophenone | 1778-09-2 | C9H10OS | 详情 | 详情 |
| (II) | 39985 | 4-hydroxy-3,5-dimethylbenzaldehyde；3,5-Dimethyl-4-hydroxybenzaldehyde | 2233-18-3 | C9H10O2 | 详情 | 详情 |
| (III) | 68545 | (E)-3-(4-hydroxy-3,5-dimethylphenyl)-1-(4-(methylthio)phenyl)prop-2-en-1-one | C18H18O2S | 详情 | 详情 | |
| (IV) | 68546 | isopropyl α-bromoisobutyrate；Isopropyl 2-bromo-2-methylpropanoate | 51368-55-9 | C7H13BrO2 | 详情 | 详情 |
| (V) | 68547 | (E)-isopropyl 2-(2,6-dimethyl-4-(3-(4-(methylthio)phenyl)-3-oxoprop-1-en-1-yl)phenoxy)-2-methylpropanoate | C25H30O4S | 详情 | 详情 |
Extended Information