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【结 构 式】 
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【分子编号】27819 【品名】(E)-3-(4-hydroxyphenyl)-2-propenenitrile 【CA登记号】 |
【 分 子 式 】C9H7NO 【 分 子 量 】145.16072 【元素组成】C 74.47% H 4.86% N 9.65% O 11.02% |
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)The reaction of 4-hydroxybenzaldehyde (I) with cyanacetic acid (II) by means of pyridine in toluene gives the 3-(4-hydroxyphenyl)propenenitrile (III), which by reaction first with methanolic HCl and then with methanolic ammonia is converted into the amidine (IV). Finally, this compound is condensed with 2-furylcarbonyl chloride (V) in pyridine and treated with methanesulfonic acid to afford the target sulfonate.
| 【1】 Niwas, S.; Moore, R.; Kilpatrick, J.M.; Babu, Y.S.; Johnson, H.; Kellogg, D.; Development of novel inhibitors of complement and coagulation serine proteases. 216th ACS Natl Meet (Aug. 23-27, Boston) 1998, Abst MEDI 088. |
| 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) | 13433 | 4-Hydroxybenzaldehyde; p-Hydroxybenzaldehyde | 123-08-0 | C7H6O2 | 详情 | 详情 |
| (II) | 12591 | Cyanoacetic Acid; 2-Cyanoacetic acid | 372-09-8 | C3H3NO2 | 详情 | 详情 |
| (III) | 27819 | (E)-3-(4-hydroxyphenyl)-2-propenenitrile | C9H7NO | 详情 | 详情 | |
| (IV) | 27820 | (E)-3-(4-hydroxyphenyl)-2-propenimidamide | C9H10N2O | 详情 | 详情 | |
| (V) | 26093 | 2-Furoyl chloride | 527-69-5 | C5H3ClO2 | 详情 | 详情 |
Extended Information