• English
  • 简体中文
Login Register
Current Location: Home > Feedback Help Print

【结 构 式】

【分子编号】37085

【品名】5-(1,3-benzodioxol-5-ylmethyl)-2-(methylsulfanyl)-4(1H)-pyrimidinone

【CA登记号】

【 分 子 式 】C13H12N2O3S

【 分 子 量 】276.31596

【元素组成】C 56.51% H 4.38% N 10.14% O 17.37% S 11.6%

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:(IX)

The cyclization of ethyl 3-(3,4-ethylenedioxyphenyl)propionate (V), ethyl formate (VI) and thiourea (VII) by means of Na in ether and ethanol gives 5-(3,4-methylenedioxyphenyl)-2-thiouracil (VIII), which by reaction with methyl iodide and NaOH in ethanol-water is converted into 5-(3,4-methylenedioxybenzyl)-2-methylthio-4-pyrimidone (IX). Finally, this compound is condensed with (IV) by heating at 150 C.

1 Brown, T.H.; DE 2660563 .
2 Blancafort, P.; Castaner, J.; Serradell, M.N.; Oxmetidine hydrochloride. Drugs Fut 1982, 7, 10, 749.
中间体序号 中间体编号 品名 CAS号 分子式 供应商 用于合成
(IV) 34071 2-[[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl]-1-ethanamine; 2-[[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl]ethylamine C7H13N3S 详情 详情
(V) 37083 ethyl 3-(1,3-benzodioxol-5-yl)propanoate C12H14O4 详情 详情
(VII) 10180 Thiourea 62-56-6 CH4N2S 详情 详情
(VIII) 37084 5-(1,3-benzodioxol-5-ylmethyl)-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone C12H10N2O3S 详情 详情
(IX) 37085 5-(1,3-benzodioxol-5-ylmethyl)-2-(methylsulfanyl)-4(1H)-pyrimidinone C13H12N2O3S 详情 详情
Extended Information