(alpha,alpha,alpha-Trifluoro-4-tolyl)acetic acid → HCID 68750749, compound

HRID 1912978Notes

Reaction equation

HRID 1912978 reaction equation
[C:1]([C:5]1[C:6]([NH2:14])=[N:7][N:8]2[CH:13]=[CH:12][CH:11]=[N:10][C:9]=12)([CH3:4])([CH3:3])[CH3:2].[F:15][C:16]([F:28])([F:27])[C:17]1[CH:22]=[CH:21][C:20]([CH2:23][C:24](O)=[O:25])=[CH:19][CH:18]=1>>[C:1]([C:5]1[C:6]([NH:14][C:24](=[O:25])[CH2:23][C:20]2[CH:19]=[CH:18][C:17]([C:16]([F:27])([F:15])[F:28])=[CH:22][CH:21]=2)=[N:7][N:8]2[CH:13]=[CH:12][CH:11]=[N:10][C:9]=12)([CH3:4])([CH3:2])[CH3:3]

Participants

3

Procedure

The product from Example 105B and 2-(4-(trifluoromethyl)phenyl)acetic acid were processed using the method analogous to that described in Example 137 to afford the title compound. 1H NMR (400 MHz, DMSO-d6/Deuterium Oxide) δ ppm 8.87 (dd, J=6.9, 1.0 Hz, 1H), 8.49 (dd, J=4.0, 1.8 Hz, 1H), 7.67-7.75 (m, 2H), 7.51-7.64 (m, 2H), 7.01 (dd, J=7.0, 4.0 Hz, 1H), 3.75-3.80 (bs, 2H), 1.39 (s, 9H); MS (ESI) m/z 377 (M+H)+.

Sources & evidence

ORD record
ord-2f35ac31497743dbbcc5ee86d36a8cba
Source dataset
uspto-grants-2013_12
Patent number
US08609669B2

Reaction notes

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