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【结 构 式】 
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【分子编号】28716 【品名】3-chloro-N-[(2R)-2,3-dihydro-1,4-benzodioxin-2-ylmethyl]-1-propanamine 【CA登记号】 |
【 分 子 式 】C12H16ClNO2 【 分 子 量 】241.71728 【元素组成】C 59.63% H 6.67% Cl 14.67% N 5.79% O 13.24% |
与该中间体有关的原料药合成路线共 2 条
合成路线1
该中间体在本合成路线中的序号：(VIII)The enantiomerically pure benzodioxane derivative (VIII) was obtained in a straightforward route including five steps starting from pyrocatechin (I). Racemic (VI) was then resolved by means of crystallization with (-)-O,O'-dibenzoyl-L-tartaric acid.
| 【1】 Matyus, P.; GYKI-16084. Drugs Fut 1999, 24, 10, 1072. |
| 【2】 3(2H)-Pyridazinone derivs. and pharmaceutical compsns. containing these cpds.. WO 9638441 . |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| 18522 | 3-amino-1-propanol | 156-87-6 | C3H9NO | 详情 | 详情 | |
| (I) | 11599 | o-Dihydroxybenzene; Catechol; Pyrocatechol | 120-80-9 | C6H6O2 | 详情 | 详情 |
| (II) | 10146 | Epichlorohydrin; 2-(Chloromethyl)oxirane | 106-89-8 | C3H5ClO | 详情 | 详情 |
| (III) | 28714 | 2,3-dihydro-1,4-benzodioxin-2-ylmethanol | 3663-82-9 | C9H10O3 | 详情 | 详情 |
| (IV) | 20959 | 2,3-dihydro-1,4-benzodioxin-2-ylmethyl 4-methylbenzenesulfonate | C16H16O5S | 详情 | 详情 | |
| (V) | 20960 | 3-[(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)amino]-1-propanol | C12H17NO3 | 详情 | 详情 | |
| (VI) | 28715 | 3-chloro-N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-1-propanamine | C12H16ClNO2 | 详情 | 详情 | |
| (VII) | 16186 | (2R,3R)-2,3-bis(benzoyloxy)butanedioic acid | C18H14O8 | 详情 | 详情 | |
| (VIII) | 28716 | 3-chloro-N-[(2R)-2,3-dihydro-1,4-benzodioxin-2-ylmethyl]-1-propanamine | C12H16ClNO2 | 详情 | 详情 |
合成路线2
该中间体在本合成路线中的序号：(VIII)Finally, N-alkylation of the potassium salt of (XII) with the base form of (VIII) was performed in dimethyl sulfoxide to afford GYKI-16084.
| 【1】 Matyus, P.; GYKI-16084. Drugs Fut 1999, 24, 10, 1072. |
| 【2】 3(2H)-Pyridazinone derivs. and pharmaceutical compsns. containing these cpds.. WO 9638441 . |
Extended Information