beta-Phenylisovaleric acid → HCID 71469283, compound

HRID 535496Notes

Reaction equation

HRID 535496 reaction equation
[NH2:1][N:2]1[N:11]=[C:10]([C:12]2[CH:13]=[N:14][C:15]([Cl:18])=[CH:16][CH:17]=2)[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[C:3]1=[O:19].[CH3:20][C:21]([C:27]1[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=1)([CH3:26])[CH2:22][C:23](O)=[O:24]>>[Cl:18][C:15]1[N:14]=[CH:13][C:12]([C:10]2[C:9]3[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=3)[C:3](=[O:19])[N:2]([NH:1][C:23](=[O:24])[CH2:22][C:21]([CH3:20])([C:27]3[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=3)[CH3:26])[N:11]=2)=[CH:17][CH:16]=1

Participants

3

Reactant 2

HCID 13890beta-Phenylisovaleric acidHCID 86673556HCID 86673556, compound

Product 1

HCID 71469283HCID 71469283, compound

Procedure

The product from Example 4B and 3-methyl-3-phenylbutanoic 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 11.44 (s, 1H), 8.63-8.64 (m, 1H), 8.37-8.47 (m, 1H), 8.12 (dd, J=8.2, 2.5 Hz, 1H), 7.92-8.04 (m, 2H), 7.73-7.76 (m, 2H), 7.41-7.49 (m, 2H), 7.28-7.34 (m, 2H), 7.16-7.20 (m, 1H), 2.63 (s, 2H), 1.47 (s, 6H); MS (APCI) M/Z 433 (M+H)+.

Sources & evidence

ORD record
ord-5941995d6a3c411882838711f9f73bf3
Source dataset
uspto-grants-2014_10
Patent number
US08859549B2

Reaction notes

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