2-Fluorophenyl isocyanate → HCID 178477460, 화합물

HRID 75824

반응식

HRID 75824 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](=[N:27]/[C@H:28]([CH:33]([CH3:35])[CH3:34])[C:29]([O:31][CH3:32])=[O:30])/[S:24][CH2:25][CH3:26])[O:20][N:19]=2)=[CH:14][CH:13]=1>>[CH2:25]([S:24]/[C:23](=[N:27]\[C@H:28]([CH:33]([CH3:34])[CH3:35])[C:29]([O:31][CH3:32])=[O:30])/[C:21]1[O:20][N:19]=[C:18]([C:15]2[CH:16]=[CH:17][C:12]([NH:11][C:9]([NH:8][C:3]3[CH:4]=[CH:5][CH:6]=[CH:7][C:2]=3[F:1])=[O:10])=[CH:13][CH:14]=2)[CH:22]=1)[CH3:26]

참가 물질

3

반응물 2

HCID 855882-Fluorophenyl isocyanateHCID 178477459HCID 178477459, 화합물

생성물 1

HCID 178477460HCID 178477460, 화합물수율 76%

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,Z)-methyl 2-((3-(4-aminophenyl)isoxazol-5-yl)(ethylthio) methyleneamino)-3-methylbutanoate was used in place of methyl 2-(3-(4-aminophenyl)isoxazole-5-carboxamido)-3-methylbutanoate to yield 76% of the title compound. MS (ESI): m/z 499 (M+H)+; 1HNMR (DMSO-d6, 300 MHz): δ 8.124 (s, 1H), 8.101 (d, 1H), 7.858 (s, 1H), 7.593 (m, 1H), 7.406 (m, 1H), 7.260 (s, 2H), 7.095 (m, 2H), 6.991 (m, 1H), 6.701(d, 1H), 4.583 (d, 1H), 3.843 (s, 3H), 3.075 (m, 2H), 2.450 (s, 1H), 1.331 (t, 3H), 1.076 (d, 6H).

후처리

  1. customThe title compound was prepared

출처 및 근거

ORD 기록
ord-d4dcc3bb15a7434f9f018007d732f81a
출처 데이터셋
uspto-grants-2014_09
특허 번호
US08835428B2

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