HuagongsheHuagongshe Chemistry Print Report · For research reference only
Acetic Acid → HCID 178526365, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | Acetic Acid | HCID 176 | — |
| Reactant | Ethanol | HCID 702 | — |
| Reactant | Sodium Hydroxide | HCID 14798 | — |
| Reactant | 4-(3-Chloro-4-fluorophenyl)-3-[4-(phenoxymethyl)-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5(4H)-one | HCID 58941927 | — |
| Solvent | Water | HCID 962 | — |
| Product | HCID 178526365 | HCID 178526365 | 90% |
Reaction Steps
Into a vial was added 4-(3-chloro-4-fluorophenyl)-3-[4-(phenoxymethyl)-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5(4H)-one (9 mg, 23 mmol), EtOH (0.5 mL), and 2.0 M of sodium hydroxide in water (35 μL). Reaction was stirred for 2 hrs at rt. The reaction mixture was neutralized with acetic acid and then purified by preparative HPLC to yield the desired compound (7.6 mg, 90%). 1H NMR (400 MHz, DMSO-d6) δ: 11.58 (s, 1H), 9.05 (s, 1H), 7.32 (t, J=7.8 Hz, 2H) 7.19 (dd, J=9.1, 9.1 Hz, 1H), 7.0 (m, 1H), 6.97 (m, 2H) 6.96 (m, 1H), 6.72 (ddd, J=8.8, 4.0, 2.8 Hz, 1H), 5.43 (s, 2H); MF═C16H12ClFN4O3; LCMS calculated for C16H13ClFN4O3(M+H)+: m/z=363.066.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08450351B2 |
| Source dataset | uspto-grants-2013_05 |
| ORD ID | ord-8ccbd1e9a51b4664abf2f653117891ba |
| Source note | uspto-grants-2013_05 |