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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1188644Generated: October 25, 2026

Water → 3-[(tetrahydro-2H-pyran-2-yloxy)methyl]-5-[3,5-bis(trifluoromethyl)phenyl]isoxazole

https://huagongshe.com/reaction/1188644

Reaction equation

Participants

RoleNameHCIDCharge
ReactantWaterHCID 962—
ReactantPhenyl isocyanateHCID 7672—
Reactant1-Ethynyl-3,5-bis(trifluoromethyl)benzeneHCID 1512607—
Reactant2-(2-Nitroethoxy)tetrahydropyranHCID 3748656—
SolventAcetonitrileHCID 6342—
Product3-[(tetrahydro-2H-pyran-2-yloxy)methyl]-5-[3,5-bis(trifluoromethyl)phenyl]isoxazoleHCID 5780042941%

Reaction Conditions

Temperature50 °C

Reaction Steps

To a solution of 2-[(2-nitroethyl)oxy]tetrahydro-2H-pyran (483 μL, 3.15 mmol) and 1-ethynyl-3,5-bis(trifluoromethyl)benzene (3.0 g, 12.6 mmol) in dry acetonitrile (15 mL) were added TEA (4.4 ml, 31.5 mmol) and isocyanatobenzene (3.4 mL, 31.5 mmol) at rt. The reaction is stirred at 50° C. for 5 h. Water was added and the mixture was extracted with Et2O three times. The combined organic layers were then washed with brine once, dried over MgSO4 and concentrated in vacuo. The residue was purified by radial chromatography (0-40% EtOAc-hexanes gradient) to afford the title compound (0.51 g, 41% yield): MS (ES) m/z 418 (M+Na+).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08673948B2
Source datasetuspto-grants-2014_03
ORD IDord-d77b6df8881d4ea1958e13187f20f63b
Source noteuspto-grants-2014_03