(4-Methoxy-2-methylphenyl)thiourea → 1-[(4-Methoxy-2-methyl-phenyl)carbamothioyl]-3-[2-[3-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]ethyl]urea

HRID 1772503ノート

反応式

HRID 1772503 の反応式
[N:1]([CH2:4][CH2:5][C:6]1[CH:7]=[C:8]([C:12]2[N:16]=[CH:15][N:14]([C:17]3[CH:22]=[CH:21][C:20]([O:23][C:24]([F:27])([F:26])[F:25])=[CH:19][CH:18]=3)[N:13]=2)[CH:9]=[CH:10][CH:11]=1)=[C:2]=[O:3].[CH3:28][O:29][C:30]1[CH:35]=[CH:34][C:33]([NH:36][C:37]([NH2:39])=[S:38])=[C:32]([CH3:40])[CH:31]=1>>[CH3:28][O:29][C:30]1[CH:35]=[CH:34][C:33]([NH:36][C:37]([NH:39][C:2]([NH:1][CH2:4][CH2:5][C:6]2[CH:11]=[CH:10][CH:9]=[C:8]([C:12]3[N:16]=[CH:15][N:14]([C:17]4[CH:22]=[CH:21][C:20]([O:23][C:24]([F:26])([F:25])[F:27])=[CH:19][CH:18]=4)[N:13]=3)[CH:7]=2)=[O:3])=[S:38])=[C:32]([CH3:40])[CH:31]=1

参加物

3

反応物 2

HCID 20481024(4-Methoxy-2-methylphenyl)thioureaHCID 904047473-(3-(2-isocyanatoethyl)phenyl)-1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazole

生成物 1

HCID 904050221-[(4-Methoxy-2-methyl-phenyl)carbamothioyl]-3-[2-[3-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]ethyl]urea

実験手順

The title compound was prepared as described in Example 75 using 3-(3-(2-isocyanatoethyl)phenyl)-1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazole (CA44) and 1-(4-methoxy-2-methylphenyl)thiourea isolated as a white solid (0.105 g, 34%): 1H NMR (400 MHz, DMSO-d6) δ 11.78 (s, 1H), 10.07 (s, 1H), 9.42 (s, 1H), 8.13-8.05 (m, 2H), 8.04-7.96 (m, 2H), 7.66-7.57 (m, 2H), 7.53-7.45 (m, 1H), 7.42-7.32 (m, 2H), 7.01 (t, J=5.7 Hz, 1H), 6.85-6.81 (m, 1H), 6.76 (dd, J=8.7, 2.9 Hz, 1H), 3.74 (s, 3H), 3.45 (q, J=6.6 Hz, 2H), 2.89 (t, J=6.9 Hz, 2H), 2.15 (s, 3H); 19F NMR (376 MHz, DMSO-d6) δ −56.97; ESIMS m/z 517 ([M+H]+), 569 [(M−H)+].

出典と根拠

ORDレコード
ord-0ab0052ade534910ac69060837b9e155
出典データセット
uspto-grants-2016_02
特許番号
US09249133B2

反応ノート

読み込み中…