HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 11091112, compound → 3H-1,2,4-Triazol-3-one, 2-(1-ethylpropyl)-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | HCID 11091112 | HCID 11091112 | — |
| Solvent | Hydrogen Bromide | HCID 260 | — |
| Product | 3H-1,2,4-Triazol-3-one, 2-(1-ethylpropyl)-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]- | HCID 71295710 | 98% |
Reaction Steps
This compound was synthesized as a white amorphous solid from 4j (41.5 mg, 0.099 mmol) in 48% aqueous HBr (1.0 mL) in 98% yield by following general procedure 1.4: 1H NMR (400 MHz, CDCl3, δH) 7.64 (s, 1H), 7.40 (d, J=8.9 Hz, 2H), 7.04-6.92 (m, 4H), 6.72 (d, J=8.5 Hz, 2H), 4.15-3.97 (m, 1H), 3.42-3.31 (m, 4H), 3.29-3.18 (m, 4H), 1.95-1.62 (m, 4H), 0.89 (t, J=7.4 Hz, 6H); 13C NMR (100 MHz, CDCl3, δC) 153.31, 151.93, 150.78, 143.66, 134.54, 125.92, 124.36, 119.46, 116.94, 116.36, 59.27, 51.82, 49.09, 26.99, 10.97. MALDI-MS: 408.2 (M+H+), 430.2 (M+Na+).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US09346791B2 |
| Source dataset | uspto-grants-2016_05 |
| ORD ID | ord-96d93df78fd04983be1b45e8e1138c58 |
| Source note | uspto-grants-2016_05 |