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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2168536Generated: October 31, 2026

Water → HCID 86672713, compound

https://huagongshe.com/reaction/2168536

Reaction equation

Participants

RoleNameHCIDCharge
ReactantWaterHCID 962—
ReactantTrifluoroacetic acidHCID 6422—
ReactantHCID 86672712HCID 86672712—
Solvent1,2-DichloroethaneHCID 11—
ProductHCID 86672713HCID 8667271384.7%

Reaction Steps

The solution of methyl 1-(2,2-dimethoxyethyl)-2-(4-fluorophenyl)-1H-benzo[d]imidazole-7-carboxylate (1.1 g, 3.1 mmol) from Step A above in 1,2-dichloroethane (5 mL) with water (3 mL) and trifluoroacetic acid (3 mL) was stirred at reflux for 2.5 h. The reaction mixture was concentrated under reduced pressure, the residue was diluted with methylene chloride, neutralized with saturated aqueous sodium bicarbonate, dried (Na2SO4), filtered, and concentrated under reduced pressure to afford methyl 2-(4-fluorophenyl)-1-(2-oxoethyl)-1H-benzo[d]imidazole-7-carboxylate (820 mg, 84%) as a clear oil: 1H NMR (500 MHz, CDCl3) δ 9.80 (s, 1H), 8.05 (d, J=8.0, Hz, 1H), 7.98 (d, J=7.5, Hz, 1H), 7.62 (dd, J=7.5, 5.0 Hz, 2H), 7.36 (t, J=8.0 Hz, 1H), 7.21 (t, J=7.5 Hz, 2H), 5.25 (s, 2H), 3.92 (s, 3H); MS (ESI+) m/z 313 (M+H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09045501B2
Source datasetuspto-grants-2015_06
ORD IDord-bdace63a5e604f9e9cc1b011cf1238fe
Source noteuspto-grants-2015_06