HuagongsheHuagongshe Chemistry Print Report · For research reference only
Methyl 4-(bromomethyl)benzoate → 5-n-Butyl-2,4-dihydro-4-[4-(methoxycarbonyl)benzyl]-2-[2-(trifluoromethyl)phenyl]-3H-1,2,4-triazol-3-one
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | Methyl 4-(bromomethyl)benzoate | HCID 256687 | — |
| Reactant | 5-n-Butyl-2,4-dihydro-2-[2-(trifluoromethyl)phenyl]-3H-1,2,4-triazol-3-one | HCID 135527027 | — |
| Product | 5-n-Butyl-2,4-dihydro-4-[4-(methoxycarbonyl)benzyl]-2-[2-(trifluoromethyl)phenyl]-3H-1,2,4-triazol-3-one | HCID 19939436 | 53% |
Reaction Steps
Alkylation of 5-n-butyl-2,4-dihydro-2-[2-(trifluoromethyl)phenyl]-3H-1,2,4-triazol-3-one (from Example 16, Step A) with methyl 4-(bromomethyl)benzoate was carried out according to the procedure of Example 13, Step A. Purification of the crude product by flash chromatography on silica gel (gradient elution with 0.3-1% MeOH in CH2Cl2) provided a 53% yield of the title compound as a clear, glassy solid; homogeneous by TLC in 95:5 CH2Cl2 --MeOH; mass spectrum (FAB) m/e 434 (M+1)+.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US05411980 |
| Source dataset | uspto-grants-1995_05 |
| ORD ID | ord-9f8e5f3a6c86435ab3415d2198bd9473 |
| Source note | uspto-grants-1995_05 |