3-(4-(Trifluoromethyl)phenyl)propionic Acid → HCID 178506154, compound

HRID 710515Notes

Reaction equation

HRID 710515 reaction equation
[N:1]1[C:5]2[CH:6]=[CH:7][C:8]([C:10]([NH:12][NH2:13])=[O:11])=[CH:9][C:4]=2[NH:3][CH:2]=1.[F:14][C:15]([F:28])([F:27])[C:16]1[CH:21]=[CH:20][C:19]([CH2:22][CH2:23][C:24](O)=O)=[CH:18][CH:17]=1>>[F:14][C:15]([F:27])([F:28])[C:16]1[CH:21]=[CH:20][C:19]([CH2:22][CH2:23][C:24]2[O:11][C:10]([C:8]3[CH:7]=[CH:6][C:5]4[NH:1][CH:2]=[N:3][C:4]=4[CH:9]=3)=[N:12][N:13]=2)=[CH:18][CH:17]=1

Participants

3

Reactant 2

HCID 35887363-(4-(Trifluoromethyl)phenyl)propionic AcidHCID 166371191H-benzimidazole-5-carbohydrazide

Product 1

HCID 178506154HCID 178506154, compound

Procedure

The compound was synthesized starting from benzimidazol-5-carbohydrazide (176 mg, 1 mmol) and 3-(4-trifluoromethylphenyl)propionic acid (218 mg; 1 mmol) as described in method 2; yield: 0.043 mg (12.0%); MS m/z: 359.2 [M+H]+; 1H-NMR (DMSO d6, 400 MHz): δ 3.21-3.25 (m, 2H); 3.31-3.35 (m, 2H); 7.54-7.56 (m, 2H); 7.64-7.67 (m, 2H); 7.86 (d, 1H, 3J=8.7 Hz); 7.92 (dd, 1H, 4J=1.7 Hz, 3J=8.7 Hz); 8.24 (d, 1H, 4J=1.7 Hz); 8.87 (s, 1H); HPLC (METHOD [A]): rt 13.82 min (95.9%)

Workup

  1. customThe compound was synthesized
  2. customrt 13.82 min (95.9%)

Sources & evidence

ORD record
ord-dcd70e142719437f82c358a49f31ea33
Source dataset
uspto-grants-2015_11
Patent number
US09181233B2

Reaction notes

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