61012-39-3 → HCID 67347860, compound

HRID 1397296Notes

Reaction equation

HRID 1397296 reaction equation
[C:1]1([C:7]2[N:11]=[C:10]([CH2:12][CH2:13][NH2:14])[NH:9][N:8]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[F:15][C:16]([F:32])([F:31])[C:17]1[O:21][N:20]=[C:19]([C:22]2[CH:23]=[C:24]([CH:28]=[CH:29][CH:30]=2)[C:25](O)=[O:26])[N:18]=1>>[C:1]1([C:7]2[N:11]=[C:10]([CH2:12][CH2:13][NH:14][C:25](=[O:26])[C:24]3[CH:28]=[CH:29][CH:30]=[C:22]([C:19]4[N:18]=[C:17]([C:16]([F:32])([F:31])[F:15])[O:21][N:20]=4)[CH:23]=3)[NH:9][N:8]=2)[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=1

Participants

3

Reactant 2

HCID 333247261012-39-3HCID 251808543-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid

Product 1

HCID 67347860HCID 67347860, compoundYield 21%

Procedure

This compound was synthesized from 2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethanamine and 3-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid as described in example 8 step 6 (17 mg, yield 21%). 1H NMR (400 MHz, CDCl3) δ 8.53 (s, 1H), 8.21-8.19 (d, J=7.8 Hz, 1H), 8.06-8.04 (t, J=7.8 Hz, 1H), 8.01-7.99 (m, 2H), 7.89 (m, 1H), 7.58-7.54 (d, J=7.8 Hz, 1H), 7.40-7.39 (m, 3H), 4.00-3.95 (q, J=5.9 Hz, 2H), 3.24-3.21 (d, J=6.1 Hz, 2H). MS (ESI) m/z: Calculated for C20H15F3N6O2: 428.12. found: 429.2 (M+H)+.

Sources & evidence

ORD record
ord-49c9a2ae54e64d528ce10717e8fe2b43
Source dataset
uspto-grants-2014_12
Patent number
US08901156B2

Reaction notes

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