2-Fluorophenyl isocyanate → Methyl 4-(3-(4-(3-(2-fluorophenyl)ureido)phenyl)isoxazole-5-carboxamido)butanoate

HRID 75827

反応式

HRID 75827 の反応式
[F:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[N:8]=[C:9]=[O:10].[NH2:11][C:12]1[CH:17]=[CH:16][C:15]([C:18]2[CH:22]=[C:21]([C:23]([NH:25][CH2:26][CH2:27][CH2:28][C:29]([O:31][CH3:32])=[O:30])=[O:24])[O:20][N:19]=2)=[CH:14][CH:13]=1>>[F:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[NH:8][C:9](=[O:10])[NH:11][C:12]1[CH:13]=[CH:14][C:15]([C:18]2[CH:22]=[C:21]([C:23]([NH:25][CH2:26][CH2:27][CH2:28][C:29]([O:31][CH3:32])=[O:30])=[O:24])[O:20][N:19]=2)=[CH:16][CH:17]=1

参加物

3

反応物 2

HCID 855882-Fluorophenyl isocyanateHCID 67352605Methyl 4-(3-(4-aminophenyl)isoxazole-5-carboxamido)butanoate

生成物 1

HCID 67352162Methyl 4-(3-(4-(3-(2-fluorophenyl)ureido)phenyl)isoxazole-5-carboxamido)butanoate収率 73%

実験手順

The title compound was prepared according to the procedure as set forth in example 151, except that 1-fluoro-2-isocyanatobenzene was used in place of 1-fluoro-3-isocyanatobenzene and methyl 4-(3-(4-aminophenyl)isoxazole-5-carboxamido)butanoate was used in place of methyl 2-(3-(4-aminophenyl)isoxazole-5-carboxamido)-3-methylbutanoate to yield 73% of the title compound. MS (ES+): m/z 441 (M+1); 1HNMR (DMSO-d6, 300 MHz): δ 9.3 (s, 1H), 9.0 (t, 1H), 8.62 (s, 1H), 8.12 (m, 1H), 7.85 (d, 2H), 7.61 (d, 2H), 7.53 (s, 1H), 7.24 (m, 1H), 7.1 (m, 1H), 7.02 (m, 1H), 3.57 (s, 3H), 3.26 (q, 2H), 2.36 (t, 2H), 1.77 (m, 2H).

後処理

  1. customThe title compound was prepared

出典と根拠

ORDレコード
ord-560224ea1c444a699f347de11a3d4043
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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