4-三氟甲基烟酸 → N-(3-{2-[2-(3-Chloro-4-hydroxy-phenyl)-ethylamino]pyrimidin-4-yl}-benzyl)-N-isopropyl-4-trifluoromethyl-nicotinamide

HRID 14920

反应方程式

HRID 14920 反应方程式
[Cl:1][C:2]1[CH:7]=[C:6]([CH2:8][CH2:9][NH:10][C:11]2[N:16]=[C:15]([C:17]3[CH:22]=[CH:21][CH:20]=[C:19]([CH2:23][NH:24][CH:25]([CH3:27])[CH3:26])[CH:18]=3)[CH:14]=[CH:13][N:12]=2)[CH:5]=[CH:4][C:3]=1[OH:28].[F:29][C:30]([F:41])([F:40])[C:31]1[C:36]([C:37](O)=[O:38])=[CH:35][N:34]=[CH:33][CH:32]=1>>[Cl:1][C:2]1[CH:7]=[C:6]([CH2:8][CH2:9][NH:10][C:11]2[N:16]=[C:15]([C:17]3[CH:18]=[C:19]([CH:20]=[CH:21][CH:22]=3)[CH2:23][N:24]([CH:25]([CH3:26])[CH3:27])[C:37](=[O:38])[C:36]3[C:31]([C:30]([F:41])([F:29])[F:40])=[CH:32][CH:33]=[N:34][CH:35]=3)[CH:14]=[CH:13][N:12]=2)[CH:5]=[CH:4][C:3]=1[OH:28]

参与物

3

反应物 2

HCID 27775494-三氟甲基烟酸HCID 586034412-Chloro-4-(2-{4-[3-(isopropylamino-methyl)-phenyl]-pyrimidin-2-ylamino}-ethyl)-phenol2 次

产物 1

HCID 58603776N-(3-{2-[2-(3-Chloro-4-hydroxy-phenyl)-ethylamino]pyrimidin-4-yl}-benzyl)-N-isopropyl-4-trifluoromethyl-nicotinamide

实验过程

2-Chloro-4-(2-{4-[3-(isopropylamino-methyl)-phenyl]-pyrimidin-2-ylamino}-ethyl)-phenol (compound 132) was coupled with 4-trifluoromethyl-nicotinic acid following procedure D2. LC-MS showed the product had the expected M+H+ of 570. 1H NMR (Varian 300 MHz, CDCl3, shifts relative to the solvent peak at 7.24 ppm) δ 9.4 (s, 1H)) 9.0 (d, 1H) 8.4 (s, 1H) 8.3 (d, 1H) 8.1 (s, 1H) 7.9 (d, 1H) 7.7 (d, 1H) 7.5 (m, 1H) 7.4 (m, 2H) 7.2 (s, 1H) 6.9 (d, 1H) 5.7 (s, br, 1H) 3.9 (s, 2H) 3.7 (m, 2H) 3.1 (m, 1H) 2.9 (m, 2H) 1.2 (d, 6H).

来源与证据

ORD记录
ord-8c7099a07627400ba279fe379a8525f6
来源数据集
uspto-grants-2010_06
专利号
US07732444B2

关联笔记

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