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【结 构 式】 
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【分子编号】61931 【品名】2-methoxy-4-nitrobenzonitrile 【CA登记号】 |
【 分 子 式 】C8H6N2O3 【 分 子 量 】178.14732 【元素组成】C 53.94% H 3.39% N 15.72% O 26.94% |
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：(II)The intermediate carbamate (V) has been obtained as follows. The reaction of 4-bromo-3-methoxynitrobenzene (I) with CuCN in NMP at 150 C gives 2-methoxy-4-nitrobenzonitrile (II), which is reduced with H2 over Pd/C in ethyl acetate to yield 4-amino-2-methoxybenzonitrile (III). Finally, this compound is condensed with phenyl carbamate (IV) by means of NaHCO3 in ethyl acetate to afford the desired carbamate intermediate (V).
| 【1】 Saunders, J.; Bethiel, S.; Badia, M.; Stamos, D.; Trudeau, M. (Vertex Pharmaceuticals Inc.); Inhibitors of IMPDH enzyme. WO 0056331 . |
| 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) | 51316 | 2-Bromo-5-nitroanisole | 77337-82-7 | C7H6BrNO3 | 详情 | 详情 |
| (II) | 61931 | 2-methoxy-4-nitrobenzonitrile | C8H6N2O3 | 详情 | 详情 | |
| (III) | 61932 | 4-amino-2-methoxybenzonitrile | C8H8N2O | 详情 | 详情 | |
| (IV) | 33820 | phenyl carbamate | 622-46-8 | C7H7NO2 | 详情 | 详情 |
| (V) | 61933 | phenyl 4-cyano-3-methoxyphenylcarbamate | C15H12N2O3 | 详情 | 详情 |
Extended Information