2-Fluorophenyl isocyanate → (R)-Methyl 2-(3-(4-(3-(2-fluorophenyl)ureido)phenyl)isoxazole-5-carbothioamido)-3-methylbutanoate

HRID 75822

반응식

HRID 75822 반응식
[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](=[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>>[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:17]=[CH:16][C:15]([C:18]2[CH:22]=[C:21]([C:23](=[S:33])[NH:24][C@H:25]([CH:30]([CH3:31])[CH3:32])[C:26]([O:28][CH3:29])=[O:27])[O:20][N:19]=2)=[CH:14][CH:13]=1

참가 물질

3

반응물 2

HCID 855882-Fluorophenyl isocyanateHCID 86656494(R)-methyl 2-(3-(4-aminophenyl)isoxazole-5-carbothioamido)-3-methylbutanoate

생성물 1

HCID 86656493(R)-Methyl 2-(3-(4-(3-(2-fluorophenyl)ureido)phenyl)isoxazole-5-carbothioamido)-3-methylbutanoate수율 65%

실험 절차

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 (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 471(M+H)+; 1HNMR (DMSO-d6, 300 MHz): δ 10.935 (s, 1H), 9.355 (s, 1H), 8.640 (s, 1H), 8.161 (s, 1H), 7.891 (s, 2H), 7.634 (d, 3H), 7.256 (s, 1H), 7.162 (s, 1H), 7.038 (s, 1H), 4.835 (s, 1H), 3.689 (s, 3H), 2.507 (s, 1H), 1.049 (d, 6H).

후처리

  1. customThe title compound was prepared

출처 및 근거

ORD 기록
ord-6bbc4cd33b7847a7ae9bf74ad4c19811
출처 데이터셋
uspto-grants-2014_09
특허 번호
US08835428B2

연결된 노트

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