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【结 构 式】

【分子编号】31458

【品名】(E)-1-(6-chloro-3-pyridinyl)-3-(dimethylamino)-2-propen-1-one

【CA登记号】

【 分 子 式 】C10H11ClN2O

【 分 子 量 】210.66292

【元素组成】C 57.02% H 5.26% Cl 16.83% N 13.3% O 7.59%

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:(III)

Reaction of 2-chloro-5-acetylpyridine (I) with refluxing dimethylformamide diethylacetal (II) afforded the enaminoketone (III). Subsequent condensation of (III) with 3,4,5-trimethoxyphenylguanidinium nitrate (IV) in the presence of NaOH gave rise to the pyridinyl pyrimidine (V). Finally, displacement of the halogen atom of (V) with (S)-2-ethylpiperazine (VI) yielded the title compound.

1 Davis, P.; Hutchings, M.; Moffat, D.; et al.; 4-Pyridin-5-yl-2-(3,4,5-trimethoxyphenylamino)pyrimidines: Potent and selective inhibitors of ZAP 70. Bioorg Med Chem Lett 1999, 9, 23, 3351.
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) 26555 1-(6-chloro-3-pyridinyl)-1-ethanone C7H6ClNO 详情 详情
(II) 31457 N-(diethoxymethyl)-N,N-dimethylamine; diethoxy-N,N-dimethylmethanamine 1188-33-6 C7H17NO2 详情 详情
(III) 31458 (E)-1-(6-chloro-3-pyridinyl)-3-(dimethylamino)-2-propen-1-one C10H11ClN2O 详情 详情
(IV) 31459 N-(3,4,5-Trimethoxyphenyl)guanidinium nitrate C10H16N4O6 详情 详情
(V) 31460 N-[4-(6-chloro-3-pyridinyl)-2-pyrimidinyl]-N-(3,4,5-trimethoxyphenyl)amine; 4-(6-chloro-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)-2-pyrimidinamine C18H17ClN4O3 详情 详情
(VI) 31461 (2S)-2-ethylpiperazine C6H14N2 详情 详情
Extended Information