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【结 构 式】 
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【药物名称】Xibenolol hydrochloride((+)-enantiomer), D-32 【化学名称】(+)-1-tert-Butylamino-3-(2',3'-dimethylphenoxy)-2-propanol hydrochloride 【CA登记号】81584-06-7 (free base;racemic) 【 分 子 式 】C15H26ClNO2 【 分 子 量 】287.83297 |
【开发单位】Nikken Chemicals (Originator), Teikoku Hormone (Originator) 【药理作用】Angina pectoris, Treatment of, Antiarrhythmic Drugs, CARDIOVASCULAR DRUGS, Treatment of Disorders of the Coronary Arteries and Atherosclerosis, beta-Adrenoceptor Antagonists |
合成路线1
It can be prepared in two different ways: 1) The reaction of 1-chloro-2,3-propylene oxide (I) with tert-butylamine (II) in ether yields 1-chloro-3-tert-butylamino-2-propanol (III), which is condensed with 2,3-xylenol (IV) by means of KOH in ether-water. 2) By heating a mixture of 1-tert-butyl-3-azetidinol (V) and 2,3-xylenol (IV) at 155 C with KOH.
| 【1】 Suzuki, Y.; et al.; JP 45029294 . |
| 【2】 Tsukamoto, K.; et al.; JP 46028534 . |
| 【3】 Castaner, J.; Weetman, D.F.; D-32. Drugs Fut 1977, 2, 2, 91. |
| 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) | 10146 | Epichlorohydrin; 2-(Chloromethyl)oxirane | 106-89-8 | C3H5ClO | 详情 | 详情 |
| (II) | 17895 | 2-Amino-2-methylpropane; tert-butylamine; 2-methyl-2-propanamine | 75-64-9 | C4H11N | 详情 | 详情 |
| (III) | 31720 | 1-(tert-butylamino)-3-chloro-2-propanol | C7H16ClNO | 详情 | 详情 | |
| (IV) | 40074 | 2,3-dimethylphenol | 526-75-0 | C8H10O | 详情 | 详情 |
| (V) | 40075 | 1-(tert-butyl)-3-azetidinol | 13156-04-2 | C7H15NO | 详情 | 详情 |