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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 77270Generated: October 26, 2026

Water → 3-(4-Ethoxy-2-oxocyclohex-3-enyl)propyl 2-(methylamino)benzoate

https://huagongshe.com/reaction/77270

Reaction equation

Participants

RoleNameHCIDCharge
ReactantWaterHCID 962—
ReactantTriethylamineHCID 8471—
ReactantN-Methylisatoic anhydrideHCID 25160—
Reactant3-Ethoxy-6-(3-hydroxypropyl)cyclohex-2-enoneHCID 25241751—
Catalyst4-(Dimethylamino)pyridineHCID 14284—
SolventDimethylformamideHCID 6228—
Product3-(4-Ethoxy-2-oxocyclohex-3-enyl)propyl 2-(methylamino)benzoateHCID 2524175245%

Reaction Conditions

Temperature65 °C

Reaction Steps

Alcohol 3 (180 mg, 0.89 mmol), NEt3 (0.56 mL) and catalytic DMAP were added to a solution of N-methylisatoic anhydride (220 mg, 0.89 mmol) in dry DMF (2.0 mL) at rt. After stirring overnight, the solution was warmed to 65° C. for 3 h. After cooling to rt, water was added and this mixture was extracted with ethyl acetate (5×50 mL). The combined organic layers were washed with brine, dried over Na2SO4, filtered, and evaporated to give the crude product, which was purified by flash column chromatography to afford 87.0 mg (45% yield) of 4 as a white solid: 1H NMR (300 MHz, CDCl3) δ 7.85 (1H, m), 7.33 (1H, m), 6.56 (2H, m), 5.27 (1H, s), 4.22 (2H, t, J=5.2 Hz), 3.85 (2H, q, J=7.0 Hz), 2.86 (3H, s), 2.39 (2H, t, J=5.3 Hz), 2.04-1.41 (7H, m), 1.31 (3H, t, J=7.0 Hz); 13C NMR (75 MHz, CDCl3) δ 201.1, 176.8, 168.7, 151.7, 134.7, 131.7, 115.0, 111.3, 110.6, 102.5, 101.9, 64.7, 64.5, 64.3, 44.9, 30.0, 28.2, 26.6, 26.5, 26.4, 14.3; ESI MS m/z 354 (M++Na+).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08841132B2
Source datasetuspto-grants-2014_09
ORD IDord-958ff28899cb4cf1895dc65cd340913b
Source noteuspto-grants-2014_09