1000931-48-5 → HCID 67379524, compound

HRID 1397416Notes

Reaction equation

HRID 1397416 reaction equation
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([C:9]2[O:10][CH:11]=[C:12]([CH2:14][CH2:15][NH2:16])[N:13]=2)=[CH:5][CH:4]=1.[F:17][C:18]([F:34])([F:33])[C:19]1[O:23][N:22]=[C:21]([C:24]2[CH:25]=[N:26][CH:27]=[C:28]([CH:32]=2)[C:29](O)=[O:30])[N:20]=1>>[CH3:1][O:2][C:3]1[CH:4]=[CH:5][C:6]([C:9]2[O:10][CH:11]=[C:12]([CH2:14][CH2:15][NH:16][C:29](=[O:30])[C:28]3[CH:32]=[C:24]([C:21]4[N:20]=[C:19]([C:18]([F:34])([F:33])[F:17])[O:23][N:22]=4)[CH:25]=[N:26][CH:27]=3)[N:13]=2)=[CH:7][CH:8]=1

Participants

3

Reactant 2

HCID 180714191000931-48-5HCID 673242165-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)nicotinic acid

Product 1

HCID 67379524HCID 67379524, compoundYield 19%

Procedure

This compound was synthesized from 2-(2-(4-methoxyphenyl)oxazol-4-yl)ethanamine and 5-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)nicotinic acid as described in example 8 step 6 (35 mg, yield 19%) as a white solid. 1H NMR (400 MHz, CDCl3) δ 9.47 (m, 1H), 9.34 (m, 1H), 8.90-8.89 (t, J=2.0 Hz, 1H), 8.08-8.06 (m, 1H), 8.03-8.00 (d, J=8.8 Hz, 2H), 7.55 (s, 1H), 6.99-6.97 (d, J=8.8 Hz, 2H), 3.88 (s, 3H), 3.87-3.84 (m, 2H), 2.96-2.93 (t, J=5.9 Hz, 2H). MS (ESI) m/z: Calculated for C21H16F3N5O4: 459.12. found: 460.1 (M+H)+.

Sources & evidence

ORD record
ord-65e5cb431d2d440c96893a2bde091b99
Source dataset
uspto-grants-2014_12
Patent number
US08901156B2

Reaction notes

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