3-Methyl-4-[2-(trifluoromethyl)phenyl]benzoic acid → HCID 131731761, compound

HRID 2404366Notes

Reaction equation

HRID 2404366 reaction equation
[CH3:1][C:2]1[CH:7]=[C:6]([C:8](O)=O)[CH:5]=[CH:4][C:3]=1[C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][C:12]=1[C:17]([F:20])([F:19])[F:18].[Cl:21][C:22]1[CH:23]=[C:24]([CH:36]=[CH:37][C:38]=1[C:39](=[N:41][OH:42])[NH2:40])[CH2:25][N:26]([CH3:35])[CH2:27][C:28]([O:30]C(C)(C)C)=[O:29]>>[ClH:21].[Cl:21][C:22]1[CH:23]=[C:24]([CH:36]=[CH:37][C:38]=1[C:39]1[N:40]=[C:8]([C:6]2[CH:5]=[CH:4][C:3]([C:11]3[CH:16]=[CH:15][CH:14]=[CH:13][C:12]=3[C:17]([F:18])([F:19])[F:20])=[C:2]([CH3:1])[CH:7]=2)[O:42][N:41]=1)[CH2:25][N:26]([CH3:35])[CH2:27][C:28]([OH:30])=[O:29]

Participants

3

Reactant 2

HCID 219478123-Methyl-4-[2-(trifluoromethyl)phenyl]benzoic acidHCID 76685347HCID 76685347, compound

Product 1

HCID 131731761HCID 131731761, compound

Procedure

The title compound was prepared according the procedure described in Example 105, but using Intermediate 50 and Intermediate 65. It was obtained as a white solid. 1H NMR (DMSO-d6, 400 MHz) δ 8.20 (1H, d, J=1.7 Hz), 8.16 (1H, d, J=8.0 Hz), 8.11 (1H, dd, J=8.0, 1.8 Hz), 7.95 (2H, d, J=8.1 Hz), 7.83 (1H, t, J=7.6 Hz), 7.78-7.69 (2H, m), 7.46 (2H, m), 4.44 (2H, br s), 4.11 (2H, br s), 2.83 (3H, br s), 2.15 (3H, br s). LC/MS (Method A): 516 (M+H)+. HPLC (Method F) Rt 3.25 min (Purity: 97.5%).

Workup

  1. customIt was obtained as a white solid

Sources & evidence

ORD record
ord-7aa683220f10462fa5ecde739bef2830
Source dataset
uspto-grants-2014_08
Patent number
US08802704B2

Reaction notes

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