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【结 构 式】 
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【分子编号】33502 【品名】1-chloro-3-(2,5-dichlorophenoxy)-2-propanol 【CA登记号】 |
【 分 子 式 】C9H9Cl3O2 【 分 子 量 】255.52736 【元素组成】C 42.3% H 3.55% Cl 41.62% O 12.52% |
合成路线1
该中间体在本合成路线中的序号：(III)Compound can be prepared in three different ways: 1) Condensation of 2,5-dichlorophenol (I) with epichlorohydrin (A) by means of NaOH in water to give 1-(2,5-dichlorophenoxy)-2,3-epoxypropane (II), which is then condensed again with tert-butylamine in refluxing ethanol. Finally, HCl in ethanol is added. 2) Condensation of (I) with epichlorohydrin (A) by means of pyridine gives 1-(2,5-dichlorophenoxy)-3-chloro-2-propanol (III), which is then condensed with tert-butylamine as before. 3) Condensation of (I) with 1-(tertbutylamino)-2,3-epoxypropane (B) or with 1-(tertbutylamino)-3-chloro-2-propanol (C) by means of NaOH in refluxing ethanol.
| 【1】 Hajos, A.; et al.; Aminopropanol derivative. DE 2213044; FR 2130284; GB 1337921; NL 7203323 . |
| 【2】 Castaner, J.; Sumgurbey, K.; GYKI-41099. Drugs Fut 1978, 3, 4, 295. |
| 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) | 10146 | Epichlorohydrin; 2-(Chloromethyl)oxirane | 106-89-8 | C3H5ClO | 详情 | 详情 |
| (B) | 33503 | N-(tert-butyl)-N-(2-oxiranylmethyl)amine; 2-methyl-N-(2-oxiranylmethyl)-2-propanamine | C7H15NO | 详情 | 详情 | |
| (I) | 11953 | 2,5-Dichlorophenol | 583-78-8 | C6H4Cl2O | 详情 | 详情 |
| (II) | 33501 | 2,5-dichlorophenyl 2-oxiranylmethyl ether; 2-[(2,5-dichlorophenoxy)methyl]oxirane | C9H8Cl2O2 | 详情 | 详情 | |
| (III) | 33502 | 1-chloro-3-(2,5-dichlorophenoxy)-2-propanol | C9H9Cl3O2 | 详情 | 详情 | |
| (C) | 31720 | 1-(tert-butylamino)-3-chloro-2-propanol | C7H16ClNO | 详情 | 详情 |