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【结 构 式】 
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【分子编号】33575 【品名】2-bromopropanenitrile 【CA登记号】 |
【 分 子 式 】C3H4BrN 【 分 子 量 】133.9755 【元素组成】C 26.9% H 3.01% Br 59.64% N 10.45% |
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)Compound can be prepared in two different ways: 1) The condensation of 2,6-dichlorophenol (I) with alpha-bromopropionitrile (II) by means of K2CO3 in refluxing butanone gives alpha-(2,6-dichlorophenoxy)propionitrile (III), which by hydrolysis with ethanol and HCl affords ethyl ester hydrochloride (IV). Finally, this compound is cyclized with ethylenediamine (A) in ethanol at 70 C. 2) By condensation of sodium 2,6-dichlorophenolate (V) with 2-(alpha-chloroethyl)-2-imidazoline (VI) in refluxing dioxane.
| 【1】 Baganz, H.; May, H.J.; Imidazoline derivatives and processes for the production thereof. US 3966757 . |
| 【2】 Baganz, H.; May, H.J; Nouveau procédé de préparation d'aryloxy-isoalcoyl-delta2-imidazolines et de leurs sels d'addition d'acide. CH 529766; DE 1695555; FR 1555168; GB 1181356 . |
| 【3】 Baganz, H.; May, H.J.; Verfahren zur Herstellung von Aryloxyisoalkyl-delta2-imidazolinen und deren Saureadditonssalzen. AT 296285B; CH 539045; DE 1935479; ES 381547 . |
| 【4】 Blancafort, P.; Lofexidine. Drugs Fut 1978, 3, 8, 592. |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (A) | 14754 | ethylenediamine;1,2-Diaminoethane;ethane-1,2-diamine；1,2-Ethanediamine | 107-15-3 | C2H8N2 | 详情 | 详情 |
| (I) | 33574 | 2,6-dichlorophenol | 87-65-0 | C6H4Cl2O | 详情 | 详情 |
| (II) | 33575 | 2-bromopropanenitrile | C3H4BrN | 详情 | 详情 | |
| (III) | 33576 | 2-(2,6-dichlorophenoxy)propanenitrile | C9H7Cl2NO | 详情 | 详情 | |
| (IV) | 33577 | ethyl 2-(2,6-dichlorophenoxy)propanimidoate | C11H13Cl2NO2 | 详情 | 详情 | |
| (V) | 33578 | sodium 2,6-dichlorobenzenolate | C6H3Cl2NaO | 详情 | 详情 | |
| (VI) | 33579 | 2-(1-chloroethyl)-4,5-dihydro-1H-imidazole | C5H9ClN2 | 详情 | 详情 |
Extended Information