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【结 构 式】

【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 .
中间体序号 中间体编号 品名 CAS号 分子式 供应商 用于合成
(VIII) 28716 3-chloro-N-[(2R)-2,3-dihydro-1,4-benzodioxin-2-ylmethyl]-1-propanamine C12H16ClNO2 详情 详情
(XII) 20958 3(2H)-pyridazinone C4H4N2O 详情 详情
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