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【结 构 式】 
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【分子编号】37602 【品名】4-(4-fluorobenzoyl)-3-(hydroxymethyl)benzonitrile 【CA登记号】 |
【 分 子 式 】C15H10FNO2 【 分 子 量 】255.2483432 【元素组成】C 70.58% H 3.95% F 7.44% N 5.49% O 12.54% |
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)A new method for the preparation of citalopram has been reported: The Grignard reaction of 1-oxo-1,3-dihydroisobenzofuran-5-carbonitrile (I) with 4-fluorophenylmagnesium bromide (II) in THF gives the hydroxymethyl benzophenone (III), which is esterified with pivaloyl chloride in ethyl ether/THF to yield the ester (V). A new Grignard reaction of (V) with 3-(dimethylamino)propylmagnesium bromide in THF affords citalopram.
| 【1】 Ellegaard, P.; Petersen, H.; Rock, M.H. (H. Lundbeck A/S); Method for the preparation of citalopram. WO 0012044 . |
| 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) | 37601 | 1-oxo-1,3-dihydro-2-benzofuran-5-carbonitrile | 82104-74-3 | C9H5NO2 | 详情 | 详情 |
| (II) | 13643 | 4-fluorophenyl magnesium bromide;Bromo(4-fluorophenyl)magnesium;bromo(p-fluorophenyl)Magnesium;p-Fluorophenylmagnesium bromide | 352-13-6 | C6H4BrFMg | 详情 | 详情 |
| (III) | 37602 | 4-(4-fluorobenzoyl)-3-(hydroxymethyl)benzonitrile | C15H10FNO2 | 详情 | 详情 | |
| (IV) | 13597 | 2,2-Dimethylpropanoyl chloride; Pivaloyl chloride | 3282-30-2 | C5H9ClO | 详情 | 详情 |
| (V) | 37603 | 5-cyano-2-(4-fluorobenzoyl)benzyl pivalate | C20H18FNO3 | 详情 | 详情 | |
| (VI) | 37604 | bromo[3-(dimethylamino)propyl]magnesium | 120615-47-6 | C5H12BrMgN | 详情 | 详情 |
Extended Information