beta-Phenylisovaleric acid → HCID 53238431, compound

HRID 469568Notes

Reaction equation

HRID 469568 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].[CH3:17][C:18]([C:24]1[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=1)([CH3:23])[CH2:19][C:20](O)=[O:21]>>[CH3:23][C:18]([C:24]1[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=1)([CH3:17])[CH2:19][C:20]([NH:1][N:2]1[N:11]=[C:10]([C:12]([F:15])([F:13])[F:14])[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[C:3]1=[O:16])=[O:21]

Participants

3

Reactant 2

HCID 13890beta-Phenylisovaleric acidHCID 671611112-amino-4-(trifluoromethyl)phthalazin-1(2H)-one

Product 1

HCID 53238431HCID 53238431, compound

Procedure

The product of Example 11B and 3-methyl-3-phenylbutanoic acid were processed using a method similar to that described in Example 17C to afford the title compound. 1H NMR (400 MHz, DMSO-d6) δ ppm 11.58-11.60 (bs, 1H), 8.43 (dd, J=7.9, 1.3 Hz, 1H), 8.11-8.15 (m, 1H), 7.97-8.07 (m, 2H), 7.43-7.46 (m, 2H), 7.28-7.36 (m, 2H), 7.16-7.21 (m, 1H), 2.66 (s, 2H), 1.46 (s, 6H); MS (ESI) m/z 390 (M+H)+.

Sources & evidence

ORD record
ord-55727f6ba6864c7f9c9a604d9bfd0d3f
Source dataset
uspto-grants-2014_01
Patent number
US08629143B2

Reaction notes

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