3,5-Difluorophenylacetic acid → HCID 86673558, compound

HRID 535498Notes

Reaction equation

HRID 535498 reaction equation
[NH2:1][N:2]1[N:11]=[C:10]([CH2:12][C:13]2[CH:14]=[N:15][C:16]([Cl:19])=[CH:17][CH:18]=2)[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[C:3]1=[O:20].[F:21][C:22]1[CH:23]=[C:24]([CH2:29][C:30](O)=[O:31])[CH:25]=[C:26]([F:28])[CH:27]=1>>[Cl:19][C:16]1[N:15]=[CH:14][C:13]([CH2:12][C:10]2[C:9]3[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=3)[C:3](=[O:20])[N:2]([NH:1][C:30](=[O:31])[CH2:29][C:24]3[CH:23]=[C:22]([F:21])[CH:27]=[C:26]([F:28])[CH:25]=3)[N:11]=2)=[CH:18][CH:17]=1

Participants

3

Reactant 2

HCID 1454243,5-Difluorophenylacetic acidHCID 86673559HCID 86673559, compound

Product 1

HCID 86673558HCID 86673558, compound

Procedure

The product from Example 30A and 2-(3,5-difluorophenyl)acetic acid were processed using a method similar to that described in Example 10C to afford the title compound. 1H NMR (400 MHz, DMSO-d6) δ ppm 11.66 (s, 1H), 8.42 (d, J=2.5 Hz, 1H), 8.33 (dd, J=7.9, 1.4 Hz, 1H), 8.06 (d, J=8.0 Hz, 1H), 7.95-8.00 (m, 1H), 7.87-7.93 (m, 1H), 7.74 (dd, J=8.2, 2.5 Hz, 1H), 7.45 (d, J=8.2 Hz, 1H), 7.05-7.21 (m, 3H), 4.39-4.40 (bs, 2H), 3.74 (s, 2H); MS (APCI) M/Z 441 (M+H)+.

Sources & evidence

ORD record
ord-13c147b5cf1347a3b395208ee346fa85
Source dataset
uspto-grants-2014_10
Patent number
US08859549B2

Reaction notes

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