2-Fluoro-3-(trifluoromethyl)benzoic acid → HCID 90406914, 화합물

HRID 510239노트

반응식

HRID 510239 반응식
[Cl:1][C:2]1[C:10]([Cl:11])=[C:9]([F:12])[CH:8]=[CH:7][C:3]=1[C:4]([OH:6])=O.FC1C(C(F)(F)F)=CC=CC=1C(O)=O.[CH3:27][CH:28]1[C:33]2[N:34]=[CH:35][N:36]=[C:37]([C:38]3[N:42](C4CCCCO4)[N:41]=[CH:40][CH:39]=3)[C:32]=2[CH2:31][CH2:30][NH:29]1>>[Cl:1][C:2]1[C:10]([Cl:11])=[C:9]([F:12])[CH:8]=[CH:7][C:3]=1[C:4]([N:29]1[CH2:30][CH2:31][C:32]2[C:37]([C:38]3[NH:42][N:41]=[CH:40][CH:39]=3)=[N:36][CH:35]=[N:34][C:33]=2[CH:28]1[CH3:27])=[O:6]

참가 물질

4

반응물 3

HCID 5180022-Fluoro-3-(trifluoromethyl)benzoic acidHCID 103307052,3-Dichloro-4-fluorobenzoic acidHCID 90408231HCID 90408231, 화합물

생성물 1

HCID 90406914HCID 90406914, 화합물

실험 절차

The title compound was prepared in a manner analogous to Example 74 substituting 2,3-dichloro-4-fluorobenzoic acid for 2-fluoro-3-(trifluoromethyl)benzoic acid in the synthesis of Intermediate 44 and the product of Example 112, step g for Intermediate 43. MS (ESI) mass calcd. C18H14Cl2FN5O, 405.1. m/z found 406.1 [M+H]+. 1H NMR (500 MHz, CD3OD) δ 9.04-8.89 (m, 1H), 7.79-7.70 (m, 1H), 7.56-7.28 (m, 2H), 7.07-6.96 (m, 1H), 5.71-5.62 (m, 1H), 3.73-3.32 (m, 3H), 3.29-3.07 (m, 1H), 1.78-1.54 (m, 3H).

출처 및 근거

ORD 기록
ord-8c8b661645444938b9f73e7b47bcba4e
출처 데이터셋
uspto-grants-2015_08
특허 번호
US09096596B2

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