3-Chlorophenylacetic acid → HCID 70975746, compound

HRID 535621Notes

Reaction equation

HRID 535621 reaction equation
[NH2:1][N:2]1[N:11]=[C:10]([S:12]([C:15]2[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=2)(=[O:14])=[O:13])[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[C:3]1=[O:21].[Cl:22][C:23]1[CH:24]=[C:25]([CH2:29][C:30](O)=[O:31])[CH:26]=[CH:27][CH:28]=1>>[Cl:22][C:23]1[CH:24]=[C:25]([CH2:29][C:30]([NH:1][N:2]2[N:11]=[C:10]([S:12]([C:15]3[CH:16]=[CH:17][CH:18]=[CH:19][CH:20]=3)(=[O:14])=[O:13])[C:9]3[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=3)[C:3]2=[O:21])=[O:31])[CH:26]=[CH:27][CH:28]=1

Participants

3

Reactant 2

HCID 158793-Chlorophenylacetic acidHCID 70975871HCID 70975871, compound

Product 1

HCID 70975746HCID 70975746, compound

Procedure

The product from Example 68B and 2-(3-chlorophenyl)acetic 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 11.87-11.90 (m, 1H), 8.56 (d, J=8.1 Hz, 1H), 8.38 (dd, J=7.9, 1.3 Hz, 1H), 8.09-8.14 (m, 1H), 7.99-8.03 (m, 3H), 7.78-7.83 (m, 1H), 7.66-7.70 (m, 2H), 7.34-7.41 (m, 3H), 7.24-7.27 (m, 1H), 3.71 (s, 2H); MS (APCI+) M/Z 454 (M+H)+.

Sources & evidence

ORD record
ord-8d5da96b660d4d2893dec5f0e694a296
Source dataset
uspto-grants-2014_10
Patent number
US08859549B2

Reaction notes

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