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【结 构 式】

【分子编号】48398

【品名】2-cyanoethyl (4S)-4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-3-[([3-[4-(2-pyridinyl)-1-piperidinyl]propyl]amino)carbonyl]-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

【CA登记号】

【 分 子 式 】C30H34F2N6O5

【 分 子 量 】596.6342064

【元素组成】C 60.39% H 5.74% F 6.37% N 14.09% O 13.41%

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:(XXVII)

Coupling of (XXV) with the intermediate amine (X) gave urea (XXVI). The methoxydihydropyrimidine ring (XXVI) was hydrolyzed to the tetrahydropyrimidinone (XXVII) by treatment with HCl, and the cyanoethyl ester group was further removed using NaOH in aqueous acetone. The resultant carboxylic acid (XXVIII) was finally esterified with methanol by using EDC and DMAP as the coupling reagents.

1 Wong, W.C.; Lagu, B.; Nagarathnam, D.; Marzabadi, M.R.; Gluchowski, C. (Synaptic Pharmaceutical Corp.); Dihydropyrimidines and uses thereof. EP 1021185; JP 2000506904; WO 9742956 .
2 Lagu, B.; Nagarathnam, D.; Marzabadi, M.R.; Wong, W.C.; Gluchowski, C. (Synaptic Pharmaceutical Corp.); Dihydropyrimidines and uses thereof. WO 9851311 .
中间体序号 中间体编号 品名 CAS号 分子式 供应商 用于合成
(X) 48387 3-[4-(2-pyridinyl)-1-piperidinyl]propylamine; 3-[4-(2-pyridinyl)-1-piperidinyl]-1-propanamine C13H21N3 详情 详情
(XXV) 48396 5-(2-cyanoethyl) 1-(4-nitrophenyl) (6S)-6-(3,4-difluorophenyl)-2-methoxy-4-(methoxymethyl)-1,5(6H)-pyrimidinedicarboxylate C24H20F2N4O8 详情 详情
(XXVI) 48397 2-cyanoethyl (6S)-6-(3,4-difluorophenyl)-2-methoxy-4-(methoxymethyl)-1-[([3-[4-(2-pyridinyl)-1-piperidinyl]propyl]amino)carbonyl]-1,6-dihydro-5-pyrimidinecarboxylate C31H36F2N6O5 详情 详情
(XXVII) 48398 2-cyanoethyl (4S)-4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-3-[([3-[4-(2-pyridinyl)-1-piperidinyl]propyl]amino)carbonyl]-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate C30H34F2N6O5 详情 详情
(XXVIII) 48399 (4S)-4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-3-[([3-[4-(2-pyridinyl)-1-piperidinyl]propyl]amino)carbonyl]-1,2,3,4-tetrahydro-5-pyrimidinecarboxylic acid C27H31F2N5O5 详情 详情
Extended Information