(alpha,alpha,alpha-Trifluoro-4-tolyl)acetic acid → HCID 53238206, compound

HRID 469562Notes

Reaction equation

HRID 469562 reaction equation
[NH2:1][N:2]1[N:11]=[C:10]([C:12]([F:15])([F:14])[F:13])[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[C:3]1=[O:16].[F:17][C:18]([F:30])([F:29])[C:19]1[CH:24]=[CH:23][C:22]([CH2:25][C:26](O)=[O:27])=[CH:21][CH:20]=1>>[O:16]=[C:3]1[C:4]2[C:9](=[CH:8][CH:7]=[CH:6][CH:5]=2)[C:10]([C:12]([F:15])([F:13])[F:14])=[N:11][N:2]1[NH:1][C:26](=[O:27])[CH2:25][C:22]1[CH:21]=[CH:20][C:19]([C:18]([F:29])([F:17])[F:30])=[CH:24][CH:23]=1

Participants

3

Reactant 2

HCID 118342(alpha,alpha,alpha-Trifluoro-4-tolyl)acetic acidHCID 671611112-amino-4-(trifluoromethyl)phthalazin-1(2H)-one

Product 1

HCID 53238206HCID 53238206, compound

Procedure

The product from Example 11B and 2-[4-(trifluoromethyl)phenyl]acetic acid were treated using a method similar to that described in Example 57 to give the title compound. 1H NMR (500 MHz, DMSO-d6/Deuterium Oxide) δ ppm 8.44 (d, J=7.1 Hz, 1H), 8.14 (td, J=7.7, 1.4 Hz, 1H), 8.01-8.10 (m, 2H), 7.70-7.76 (m, 2H), 7.60-7.63 (m, 2H), 3.86-3.87 (bs, 2H); MS (ESI) m/z 416 (M+H)+.

Sources & evidence

ORD record
ord-966e5b6116a54ef9885172be0988aed4
Source dataset
uspto-grants-2014_01
Patent number
US08629143B2

Reaction notes

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