HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1747817Generated: November 2, 2026
Benzene, 1-bromo-2-(trifluoromethyl)- → HCID 89586245, compound
https://huagongshe.com/reaction/1747817
Participants
| Role | Name | HCID | Charge |
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| Reactant | Benzene, 1-bromo-2-(trifluoromethyl)- | HCID 9806 | — |
| Reactant | Sodium Bicarbonate | HCID 516892 | — |
| Reactant | 2-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenyl | HCID 11155794 | — |
| Reactant | Sodium t-butoxide | HCID 23676156 | — |
| Reactant | HCID 68014851 | HCID 68014851 | — |
| Catalyst | Bis(dibenzylideneacetone)palladium | HCID 9811564 | — |
| Solvent | Toluene | HCID 1140 | — |
| Product | HCID 89586245 | HCID 89586245 | 11.3% |
Reaction Steps
A mixture of 3-(1-phenyl-1H-pyrazol-5-yl)-1-piperidin-4-ylpyridazin-4(1H)-one (25.7 mg), 2-bromobenzotrifluoride (27 mg), Pd2(dba)3 (1.8 mg), sodium tert-butoxide (8.8 mg), X-phos (1.9 mg) and toluene (1.0 mL) was heated using a microwave reactor (Synthos3000) at 120° C. for 10 min. To the reaction mixture was added 5% sodium hydrogen carbonate solution, and the mixture was extracted with ethyl acetate (the extract was separated by an organic layer-separation filter). The extract was distilled by blowing air at 60° C., and the residue was dissolved in DMSO. The solution was purified by preparative HPLC (column: Hydrosphere, solvent: 10 mM NH4HCO3/MeCN). The obtained eluate containing the title compound was concentrated by blowing air at 60° C. to give the title compound (4.2 mg).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US09150588B2 |
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| Source dataset | uspto-grants-2015_10 |
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| ORD ID | ord-254235594b844c78bf644fbcb34e60a0 |
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| Source note | uspto-grants-2015_10 |
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