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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1465062Generated: October 30, 2026

Sodium Iodide → HCID 59394948, compound

https://huagongshe.com/reaction/1465062

Reaction equation

Participants

RoleNameHCIDCharge
ReactantSodium IodideHCID 5238—
ReactantPotassium CarbonateHCID 11430—
Reactant4-Methoxybenzyl bromideHCID 165021—
ReactantHCID 59394938HCID 59394938—
SolventDimethylformamideHCID 6228—
ProductHCID 59394948HCID 5939494858.4%

Reaction Conditions

Temperature60 °C

Reaction Steps

Ethyl 6-(trifluoromethoxy)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate (775 mg, 2.66 mmol) was dissolved in DMF (4 mL) containing K2CO3 (1103 mg, 7.98 mmol), sodium iodide (80 mg, 0.53 mmol). 1-(Bromomethyl)-4-methoxy-benzene (1070 mg, 776 μL, 5.32 mmol) was added slowly to the above reaction mixture. The mixture was heated at 60° C. for 6 h. After evaporation of the solvent, the residue was treated with water and extracted with dichloromethane. The organic extracts were dried over Na2SO4 and evaporated in vacuo. The residue was chromatographed over a silica gel column (0-25% ethyl acetate/hexanes) to provide 4-(4-methoxybenzyl)-6-(trifluoromethoxy)-3,4-dihydro-2H-benzo[b][1,4]oxazine-2-carboxylic acid (639 mg, 1.553 mmol, 58.37%) as a white solid. LC/MS m/z 412.4 [M+H]+. 1H NMR (400.0 MHz, DMSO-d6) δ 7.18 (d, J=8.5 Hz, 2H), 6.88 (d, J=8.6, 2H), 6.86 (d, J=8.6 Hz, 1H), 6.68 (d, J=2.1 Hz, 1H), 6.54 (d, J=8.7 Hz, 1H), 5.09 (t, J=3.3 Hz, 1H), 4.45 (d, J=15.4 Hz, 1H), 4.29 (d, J=15.3 Hz, 1H), 4.16-4.05 (m, 2H), 3.73 (s, 3H), 3.52-3.42 (m, 2H), 1.13 (t, J=7.1 Hz, 3H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08999976B2
Source datasetuspto-grants-2015_04
ORD IDord-e0961e39ba74405396ea8d081ed0b0f5
Source noteuspto-grants-2015_04