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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 336328Generated: October 30, 2026

Diisopropylethylamine → 3-chloro-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazole-5-carbaldehyde

https://huagongshe.com/reaction/336328

Reaction equation

Participants

RoleNameHCIDCharge
ReactantDiisopropylethylamineHCID 81531—
Reactant2,6-Dimethylmorpholine, cis-HCID 641500—
Reactant3-Chloro-6,7-difluorobenzo[d]isoxazole-5-carbaldehydeHCID 86658120—
SolventAcetonitrileHCID 6342—
Product3-chloro-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazole-5-carbaldehydeHCID 86658121—

Reaction Conditions

Temperature85 °C

Reaction Steps

To an ice cooled solution of 3-chloro-6,7-difluoro-1,2-benzoxazole-5-carbaldehyde (prepared according to the procedure described in International Application Publication No. WO 2010/043893, 5.0 g, 23.0 mmol) in anhydrous acetonitrile (50 ml) was added diisopropylethylamine (5.9 g, 45.9 mmol) followed by cis-2,6-dimethylmorpholine (2.6 g, 23.0 mmol) and the mixture was heated at 85° C. for 12 hours in a sealed tube. The solution was cooled to room temperature and the volatiles were removed under vacuum. The residue was dissolved in Ethyl acetate, washed with water followed by brine and then dried over anhydrous Na2SO4. Removal of solvent under vacuum afforded the crude product, which was purified over silica gel column using a gradient of ethyl acetate in pet. ether to give title compound as solid. Yield: 6.0 g (84%). 1H NMR (400 MHz, DMSO-d6) δ: 1.0 (d, 6H), 2.9 (t, 2H), 3.1 (d, 2H), 3.8 (m, 2H), 7.7 (s, 1H), 10.2 (s, 1H). MS (ES) MH+: 313 for C14H14ClFN2O3.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08889671B2
Source datasetuspto-grants-2014_11
ORD IDord-004068bccf494c498de3e23a2d860882
Source noteuspto-grants-2014_11