4-Methylphenyl isocyanate → (R)-Methyl 3-methyl-2-(3-(4-(3-p-tolylureido)phenyl)isoxazole-5-carbothioamido)butanoate

HRID 75823

反応式

HRID 75823 の反応式
[N:1]([C:4]1[CH:9]=[CH:8][C:7]([CH3:10])=[CH:6][CH:5]=1)=[C:2]=[O:3].[NH2:11][C:12]1[CH:17]=[CH:16][C:15]([C:18]2[CH:22]=[C:21]([C:23](=[S:33])[NH:24][C@H:25]([CH:30]([CH3:32])[CH3:31])[C:26]([O:28][CH3:29])=[O:27])[O:20][N:19]=2)=[CH:14][CH:13]=1>>[CH3:32][CH:30]([CH3:31])[C@@H:25]([NH:24][C:23]([C:21]1[O:20][N:19]=[C:18]([C:15]2[CH:16]=[CH:17][C:12]([NH:11][C:2]([NH:1][C:4]3[CH:9]=[CH:8][C:7]([CH3:10])=[CH:6][CH:5]=3)=[O:3])=[CH:13][CH:14]=2)[CH:22]=1)=[S:33])[C:26]([O:28][CH3:29])=[O:27]

参加物

3

反応物 2

HCID 693254-Methylphenyl isocyanateHCID 86656494(R)-methyl 2-(3-(4-aminophenyl)isoxazole-5-carbothioamido)-3-methylbutanoate

生成物 1

HCID 86656495(R)-Methyl 3-methyl-2-(3-(4-(3-p-tolylureido)phenyl)isoxazole-5-carbothioamido)butanoate収率 65%

実験手順

The title compound was prepared according to the procedure as set, forth in example 151, except that 1-isocyanato-4-methylbenzene was used in place of 1-fluoro-3-isocyanatobenzene and (R)-methyl 2-(3-(4-aminophenyl)isoxazole-5-carbothioamido)-3-methylbutanoate was used in place of methyl 2-(3-(4-aminophenyl)isoxazole-5-carboxamido)-3-methylbutanoate to yield 65% of the title compound. MS (ESI): m/z 467(M+H); 1HNMR (DMSO-d6, 300 MHz): δ 10.924 (d, 1H), 8.902 (s, 1H), 8.630 (s, 1H), 7.865 (d, 2H), 7.607(d, 3H), 7.351(d, 2H), 7.094(d, 2H), 4.810 (s, 1H), 3.665(s, 3H), 2.489 (m, 1H), 2.367(s, 3H), 1.033(m, 6H).

後処理

  1. customThe title compound was prepared

出典と根拠

ORDレコード
ord-e6f371e78ff9467da4f0df807871d59f
出典データセット
uspto-grants-2014_09
特許番号
US08835428B2

関連ノート

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