HuagongsheHuagongshe Chemistry Print Report · For research reference only
Isobutyryl chloride → HCID 136245957, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | Isobutyryl chloride | HCID 62325 | — |
| Reactant | 3-(5-(aminomethyl)-2-chlorophenyl)-1-(4-(trifluoromethyl)phenyl)-1H-1,2,4-triazol-5(4H)-one | HCID 136492371 | — |
| Solvent | Tetrahydrofuran | HCID 8028 | — |
| Product | HCID 136245957 | HCID 136245957 | 117.6% |
Reaction Steps
The title compound was prepared according to the procedure described in Example-108 by using 3-(5-(aminomethyl)-2-chlorophenyl)-1-(4-(trifluoromethyl)phenyl)-1H-1,2,4-triazol-5(4H)-one (Intermediate-63, 0.250 g, 0.678 mmol), isobutyryl chloride (0.108 g, 1.01 mmol), TEA (2.0 mL), and dry THF (5 mL) to afford 0.350 g of the desired product. 1H NMR (300 MHz, DMSO d6): δ 1.14 (d, J=6.6 Hz, 6H), 2.41-2.43 (m, 1H), 4.30 (d, J=6.3 Hz, 2H), 7.43 (d, J=8.1 Hz, 1H), 7.61-7.64 (m, 2H), 7.86 (d, J=9.3 Hz, 2H), 8.20 (d, J=8.4 Hz, 2H), 8.38 (m, 1H), 12.69 (s, 1H); MS (m/z): 43924 (M+H)+.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US09439890B2 |
| Source dataset | uspto-grants-2016_09 |
| ORD ID | ord-b33b32d4d49d4eaf9eccb8813cc09d0e |
| Source note | uspto-grants-2016_09 |