HuagongsheHuagongshe Chemistry Print Report · For research reference only
1,3-Cyclohexanedione → HCID 10293018, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 1,3-Cyclohexanedione | HCID 10434 | — |
| Reactant | 5-Amino-1H-pyrazol-3-ol | HCID 96221 | — |
| Reactant | 3-Bromo-4-fluorobenzaldehyde | HCID 173604 | — |
| Product | HCID 10293018 | HCID 10293018 | 24.7% |
Reaction Steps
5-Amino-1,2-dihydropyrazol-3-one (0.15 g, 1.5 mmol), 3-bromo-4-fluorobenzaldehyde (0.3 g, 1.5 mmol), and 1,3-cyclohexanedione (0.17 g, 1.5 mmol) were processed as described in Example 2 to provide 0.14 g of the title compound. 1H NMR (300 MHz, DMSO-d6) δ 1.85 (m, 2H), 2.18 (m, 2H), 2.55 (m, 2H), 4.94 (s,1H), 7.12 (m, 1H), 718 (t, 1H), 7.4 (dd, 1H), 9.75 (s, 1H), 10.35 (bs, 1H), 11.33 (bs, 1H); MS (ESI−) m/z 376 (M−H)−; Anal. Calcd for C16H13N3BrFO2: C, 50.79; H, 3.44; N, 11.11. Found: C, 50.45; H, 3.42; N, 11.33.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US06780872B2 |
| Source dataset | uspto-grants-2004_08 |
| ORD ID | ord-face6880b13245c7b7c42fd3629e8eba |
| Source note | uspto-grants-2004_08 |