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【结 构 式】 
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【分子编号】51714 【品名】3-formylphenyl 2-(acetoxy)benzoate 【CA登记号】 |
【 分 子 式 】C16H12O5 【 分 子 量 】284.26828 【元素组成】C 67.6% H 4.25% O 28.14% |
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)Alternatively, coupling of 3-hydroxybenzaldehyde (I) with acetylsalicyloyl chloride (II) by means of Et3N in dichloromethane affords 2-acetoxybenzoic acid 3-formyl-phenyl ester (IV), which is then reduced by hydrogenation over Pd/C in ethyl acetate to provide alcohol (III). Chlorination of alcohol (III) by treatment with thionyl chloride in DMF gives the chloromethyl derivative (V), which is finally converted to NCX-4016 by treatment with AgNO3 in refluxing acetonitrile.
| 【1】 Garufi, M.; Del Soldato, P. (NicOx SA); Synthesis method of nitroxymethylphenyl esters of aspirin derivs.. WO 0044705 . |
| 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) | 28537 | 3-hydroxybenzaldehyde | 100-83-4 | C7H6O2 | 详情 | 详情 |
| (II) | 16900 | 2-(chlorocarbonyl)phenyl acetate; Acetylsalicyloyl chloride | 5538-51-2 | C9H7ClO3 | 详情 | 详情 |
| (III) | 51713 | 3-(hydroxymethyl)phenyl 2-(acetoxy)benzoate | C16H14O5 | 详情 | 详情 | |
| (IV) | 51714 | 3-formylphenyl 2-(acetoxy)benzoate | C16H12O5 | 详情 | 详情 | |
| (V) | 51715 | 3-(chloromethyl)phenyl 2-(acetoxy)benzoate | C16H13ClO4 | 详情 | 详情 |
Extended Information