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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 245532Generated: October 30, 2026

Diisopropylethylamine → 3-chloro-6-((2R,6R)-2,6-dimethylmorpholino)-7-fluorobenzo[d]isoxazole-5-carbaldehyde

https://huagongshe.com/reaction/245532

Reaction equation

Participants

RoleNameHCIDCharge
ReactantDiisopropylethylamineHCID 81531—
Reactanttrans-2,6-DimethylmorpholineHCID 11137133—
Reactant3-Chloro-6,7-difluorobenzo[d]isoxazole-5-carbaldehydeHCID 86658120—
SolventAcetonitrileHCID 6342—
Product3-chloro-6-((2R,6R)-2,6-dimethylmorpholino)-7-fluorobenzo[d]isoxazole-5-carbaldehydeHCID 86658122—

Reaction Steps

A solution of 3-chloro-6,7-difluorobenzo[d]isoxazole-5-carbaldehyde (Intermediate 532, 3.32 g, 10.6 mmol), (2R,6R)-2,6-dimethylmorpholine (Purchased from BASF®, 2.64 g, 22.9 mmol) and DIEA (4 ml, 22.9 mmol) in acetonitrile (20 ml) was heated at reflux for 3 hours. The mixture was cooled to room temperature before being partitioned between EtOAc and 1N HCl. The EtOAc was separated and washed with brine. The combined aqueous layers were extracted with EtOAc, which was washed with brine. The combined EtOAc was dried (MgSO4) and concentrated to give an oil that was chromatographed on silica gel (50% hexanes in CH2Cl2 followed by gradient elution to 100% CH2Cl2 followed by gradient elution to 5% EtOAc in CH2Cl2) to give 2 materials in order of elution: the first material (265 mg) is consistent with starting material and the second (3.33 g) with desired product.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08658641B2
Source datasetuspto-grants-2014_02
ORD IDord-6c22e4b57a434ecf9d99efc5b31bc65e
Source noteuspto-grants-2014_02