Back
HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2369902Generated: October 30, 2026

Water → HCID 86672705, compound

https://huagongshe.com/reaction/2369902

Reaction equation

Participants

RoleNameHCIDCharge
ReactantWaterHCID 962—
ReactantTrifluoroacetic acidHCID 6422—
ReactantHCID 86672706HCID 86672706—
SolventDichloromethaneHCID 6344—
ProductHCID 86672705HCID 8667270544%

Reaction Steps

To a stirred solution of methyl 1-(2,2-dimethoxyethyl)-2-isopropyl-1H-benzo[d]imidazole-7-carboxylate from Step D above in methylene chloride were added water and trifluoroacetic acid and the reaction was stirred at room temperature for 2 h and then heated at reflux for 3.5 h. The reaction mixture was concentrated under reduced pressure to remove the excess trifluoroacetic acid, diluted with methylene chloride, washed with saturated aqueous sodium bicarbonate, re-extracted with methylene chloride, dried (Na2SO4), filtered, and concentrated under reduced pressure to give methyl 1-(2-oxoethyl)-1H-benzo[d]imidazole-7-carboxylate (0.2 g, 44% over two steps): 1H NMR (500 MHz, DMSO-d6) δ 9.69 (s, 1H), 7.97 (dd, J=8.0, 1.0 Hz, 1H), 7.81 (dd, J=7.5, 1.0 Hz, 1H), 7.33 (t, J=8.0 Hz, 1H), 5.48 (s, 2H), 3.84 (s, 3H); MS (ESI+) m/z 218 (M+H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08710046B2
Source datasetuspto-grants-2014_04
ORD IDord-4c99bace56364e4598d5bccdc13f5e28
Source noteuspto-grants-2014_04