5-Bromonicotinic acid → 5-Bromo-N-(3-{2-[2-(3-chloro-4-hydroxy-phenyl)-ethylamino]-pyrimidin-4-yl}-benzyl)-N-isopropyl-nicotinamide

HRID 14921

反応式

HRID 14921 の反応式
[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].[Br:29][C:30]1[CH:31]=[N:32][CH:33]=[C:34]([CH:38]=1)[C:35](O)=[O:36]>>[Br:29][C:30]1[CH:31]=[N:32][CH:33]=[C:34]([CH:38]=1)[C:35]([N:24]([CH2:23][C:19]1[CH:20]=[CH:21][CH:22]=[C:17]([C:15]2[CH:14]=[CH:13][N:12]=[C:11]([NH:10][CH2:9][CH2:8][C:6]3[CH:5]=[CH:4][C:3]([OH:28])=[C:2]([Cl:1])[CH:7]=3)[N:16]=2)[CH:18]=1)[CH:25]([CH3:26])[CH3:27])=[O:36]

参加物

3

反応物 2

HCID 887075-Bromonicotinic acidHCID 586034412-Chloro-4-(2-{4-[3-(isopropylamino-methyl)-phenyl]-pyrimidin-2-ylamino}-ethyl)-phenol2 回

生成物 1

HCID 586035655-Bromo-N-(3-{2-[2-(3-chloro-4-hydroxy-phenyl)-ethylamino]-pyrimidin-4-yl}-benzyl)-N-isopropyl-nicotinamide

実験手順

2-Chloro-4-(2-{4-[3-(isopropylamino-methyl)-phenyl]-pyrimidin-2-ylamino}-ethyl)-phenol (compound 132) was coupled with 5-bromo-nicotinic acid following procedure D2. LC-MS showed the product had the expected M+H+ of 581. 1H NMR (Varian 300 MHz, CDCl3, shifts relative to the solvent peak at 7.24 ppm) δ 9.3 (s, 1H), 8.9 (s, 1H) 8.6 (s, 1H) 8.4 (s, 1H) 8.2 (d, 1H) 8.1 (s, 1H) 7.9 (d, 1H) 7.5 (m, 1H) 7.4 (m, 2H) 7.2 (s, 1H) 6.9 (d, 1H) 5.8 (s, 1H) 3.9 (s, 2H) 3.7 (m, 2H) 3.1 (m, 1H) 2.9 (m, 2H) 1.2 (d, 6H).

出典と根拠

ORDレコード
ord-22b3a6f14eac45c8aafdcdc4d647fd47
出典データセット
uspto-grants-2010_06
特許番号
US07732444B2

関連ノート

読み込み中…