4-Fluoro-3-(trifluoromethyl)aniline → HCID 178505120, 화합물

HRID 69784

반응식

HRID 69784 반응식
[OH:1][N:2]=[C:3]([C:5]1[C:9]([NH:10][CH2:11][CH2:12][NH:13][S:14]([CH3:17])(=[O:16])=[O:15])=[N:8][O:7][N:6]=1)[NH2:4].[F:18][C:19]([F:29])([F:28])[C:20]1[CH:21]=[C:22]([CH:24]=[CH:25][C:26]=1[F:27])N>>[F:27][C:26]1[CH:25]=[CH:24][C:22]([NH:4][C:3]([C:5]2[C:9]([NH:10][CH2:11][CH2:12][NH:13][S:14]([CH3:17])(=[O:16])=[O:15])=[N:8][O:7][N:6]=2)=[N:2][OH:1])=[CH:21][C:20]=1[C:19]([F:18])([F:28])[F:29]

참가 물질

3

반응물 2

HCID 753774-Fluoro-3-(trifluoromethyl)aniline2회HCID 136330166N-hydroxy-4-({2-[(methylsulfonyl)amino]ethyl}amino)-1,2,5-oxadiazole-3-carboximidamide

생성물 1

HCID 178505120HCID 178505120, 화합물

실험 절차

The title compound was prepared according to the procedure of Example 17 step E, using N′-hydroxy-4-({2-[(methylsulfonyl)amino]ethyl}amino)-1,2,5-oxadiazole-3-carboximidamide and 3-trifluoromethyl-4-fluoroaniline [Aldrich, product #217778] as the starting materials. LCMS for C13H15F4N6O4S (M+H)+: m/z=427.0. 1H NMR (400 MHz, DMSO-d6): δ 11.60 (s, 1H), 9.07 (s, 1H), 7.30 (t, J=10.1 Hz, 1H), 7.18 (t, J=6.0 Hz, 1H), 7.13 (dd, J=6.0, 2.7 Hz, 1H), 7.03 (m, 1H), 6.27 (t, J=6.3 Hz, 1H), 3.32 (m, 2H), 3.13 (q, J=6.0 Hz, 2H), 2.89 (s, 3H).

출처 및 근거

ORD 기록
ord-46feef4e5772459994fc4a5a04f1fc70
출처 데이터셋
uspto-grants-2014_09
특허 번호
US08822511B2

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