3,4-Dimethylphenyl isocyanate → Methyl 2-(5-(4-(3-(3,4-dimethylphenyl)ureido)phenyl)oxazole-2-carboxamido)-3-methylbutanoate

HRID 1024438

反応式

HRID 1024438 の反応式
[N:1]([C:4]1[CH:9]=[CH:8][C:7]([CH3:10])=[C:6]([CH3:11])[CH:5]=1)=[C:2]=[O:3].[NH2:12][C:13]1[CH:18]=[CH:17][C:16]([C:19]2[O:23][C:22]([C:24]([NH:26][CH:27]([CH:32]([CH3:34])[CH3:33])[C:28]([O:30][CH3:31])=[O:29])=[O:25])=[N:21][CH:20]=2)=[CH:15][CH:14]=1>>[CH3:11][C:6]1[CH:5]=[C:4]([NH:1][C:2](=[O:3])[NH:12][C:13]2[CH:18]=[CH:17][C:16]([C:19]3[O:23][C:22]([C:24]([NH:26][CH:27]([CH:32]([CH3:34])[CH3:33])[C:28]([O:30][CH3:31])=[O:29])=[O:25])=[N:21][CH:20]=3)=[CH:15][CH:14]=2)[CH:9]=[CH:8][C:7]=1[CH3:10]

参加物

3

反応物 2

HCID 43896633,4-Dimethylphenyl isocyanateHCID 67150345Methyl 2-(5-(4-aminophenyl)oxazole-2-carboxamido)-3-methylbutanoate

生成物 1

HCID 52934132Methyl 2-(5-(4-(3-(3,4-dimethylphenyl)ureido)phenyl)oxazole-2-carboxamido)-3-methylbutanoate収率 82%

実験手順

The title compound was synthesized analogous to Example 1, using 4-isocyanato-1,2-dimethylbenzene and intermediate 1. Yield: 82%; 1H NMR (DMSO-d6, 300 MHz): δ 8.97 (d, 1H), 8.89 (s, 1H), 8.56 (s, 1H), 7.79 (s, 1H), 7.77 (d, 2H), 7.61 (d, 2H), 7.24 (dd, 1H), 7.19 (dd, 1H), 7.04 (d, 1H), 4.3, (m, 1H), 3.68 (s, 3H), 2.28 (m, 1H), 2.19 (s, 3H), 2.15 (s, 3H), 0.95 (d, 6H); MS (ES+): m/z 465 (M+1).

出典と根拠

ORDレコード
ord-6eee41c92e4d4cc4809bcf739f97d19a
出典データセット
uspto-grants-2014_05
特許番号
US08722901B2

関連ノート

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