beta-Phenylisovaleric acid → HCID 53236155, compound

HRID 469641Notes

Reaction equation

HRID 469641 reaction equation
[NH2:1][N:2]1[N:11]=[C:10]([C:12]2[CH:17]=[CH:16][C:15]([C:18]([F:21])([F:20])[F:19])=[CH:14][CH:13]=2)[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[C:3]1=[O:22].[CH3:23][C:24]([C:30]1[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=1)([CH3:29])[CH2:25][C:26](O)=[O:27]>>[CH3:29][C:24]([C:30]1[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=1)([CH3:23])[CH2:25][C:26]([NH:1][N:2]1[N:11]=[C:10]([C:12]2[CH:17]=[CH:16][C:15]([C:18]([F:21])([F:19])[F:20])=[CH:14][CH:13]=2)[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[C:3]1=[O:22])=[O:27]

Participants

3

Reactant 2

HCID 13890beta-Phenylisovaleric acidHCID 67160581HCID 67160581, compound

Product 1

HCID 53236155HCID 53236155, compound

Procedure

The product of Example 147A and 3-methyl-3-phenylbutanoic acid were treated using a method similar to that described in Example 17C to give the title compound. 1H NMR (400 MHz, DMSO-d6) δ ppm 11.37-11.43 (m, 1H), 8.39-8.48 (m, 1H), 7.95-8.01 (m, 2H), 7.94-7.97 (m, 2H), 7.82-7.85 (m, 2H), 7.71-7.75 (m, 1H), 7.43-7.46 (m, 2H), 7.29-7.33 (m, 2H), 7.15-7.21 (m, 1H), 2.63 (s, 2H), 1.47 (s, 6H); MS (APCI+) M/Z 466 (M+H)+.

Sources & evidence

ORD record
ord-52095098faf3405d9dd431a8f57bf80a
Source dataset
uspto-grants-2014_01
Patent number
US08629143B2

Reaction notes

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