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【结 构 式】 
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【分子编号】56569 【品名】2-(1-hydroxyethylidene)malononitrile 【CA登记号】 |
【 分 子 式 】C5H4N2O 【 分 子 量 】108.09964 【元素组成】C 55.56% H 3.73% N 25.91% O 14.8% |
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：(VI)The intermediate amino pyrazole (I) was prepared as follows. Acylation of malononitrile (IV) with acetyl chloride (V) in the presence of Et3N afforded (1-hydroxyethyliden)malononitrile (VI). Subsequent methylation of the hydroxyl group with dimethyl sulfate gave enol ether (VII). Alternatively, malononitrile (IV) was converted to the ethyl enol ether (VIII) by condensation with triethyl orthoacetate in the presence of Ac2O. Cyclization of either (VII) or (VIII) with phenylhydrazine (IX) furnished 5-amino-4-cyano-1-phenylpyrazole (I).
| 【1】 Hasegawa, H.; et al.; Synthesis of endothelin converting enzyme inhibitors and their structure activity relationships. 21st Symp Med Chem (Nov 28 2001, Kyoto) 2001, Abst 1P-21. |
| 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) | 49117 | 5-amino-3-methyl-1-phenyl-1H-pyrazole-4-carbonitrile | C11H10N4 | 详情 | 详情 | |
| (IV) | 11818 | Phenyl hydrazine; 1-Phenylhydrazine | 100-63-0 | C6H8N2 | 详情 | 详情 |
| (IV) | 12061 | Malononitrile | 109-77-3 | C3H2N2 | 详情 | 详情 |
| (V) | 19273 | acetyl chloride | 75-36-5 | C2H3ClO | 详情 | 详情 |
| (VI) | 56569 | 2-(1-hydroxyethylidene)malononitrile | C5H4N2O | 详情 | 详情 | |
| (VII) | 56570 | 2-(1-methoxyethylidene)malononitrile | C6H6N2O | 详情 | 详情 | |
| (VIII) | 56571 | 2-(1-ethoxyethylidene)malononitrile | C7H8N2O | 详情 | 详情 |
Extended Information