HuagongsheHuagongshe Chemistry Print Report · For research reference only
CID 15930840 → 5-[4-(3-Isopropyl-4-methoxy-phenoxy)-3,5-dimethyl-phenyl]-2,4-dihydro-[1,2,4]triazol-3-one
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | CID 15930840 | HCID 15930840 | — |
| Reactant | 3,5-Dimethyl-4-(3-isopropyl-4-methoxy-phenoxy)-benzaldehyde-semicarbazone | HCID 69755004 | — |
| Solvent | Ethyl acetate acetate | HCID 22609514 | — |
| Product | 5-[4-(3-Isopropyl-4-methoxy-phenoxy)-3,5-dimethyl-phenyl]-2,4-dihydro-[1,2,4]triazol-3-one | HCID 135555940 | 24.2% |
Reaction Steps
A solution of the title compound of Step A (20 mg, 0.055 mmol) and sulfur monochloride (26.7 μl, 0.33 mmol) in ethyl acetate/acetic acid (2.4 ml/0.6 ml) was heated to reflux for about eight hours. The mixture was concentrated and the residue was purified by preparative TLC (5% methanol in dichloromethane) to afford the title compound (4.7 mg) as a white solid. MS (APCI+) Calc: 353.2, found: 354.2 (M+1).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US06960604B2 |
| Source dataset | uspto-grants-2005_11 |
| ORD ID | ord-812c2fbc8a81476a9ee2deea69fe3651 |
| Source note | uspto-grants-2005_11 |