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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 923254Generated: October 31, 2026

Ethanol → 4-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl)-3-ethoxybenzonitrile

https://huagongshe.com/reaction/923254

Reaction equation

Participants

RoleNameHCIDCharge
ReactantEthanolHCID 702—
ReactantCesium carbonateHCID 10796—
ReactantBinap, (A+-)-HCID 634876—
Reactant3-bromo-4-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl)benzonitrileHCID 58827057—
CatalystBis(dibenzylideneacetone)palladiumHCID 9811564—
Solvent1,2-DimethoxyethaneHCID 8071—
Product4-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl)-3-ethoxybenzonitrileHCID 58827165—

Reaction Conditions

Temperature135 °C

Reaction Steps

A solution of 3-bromo-4-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl)benzonitrile (0.090 g, 0.312 mmol) given in Example 3 (table 2), Pd2(dba)3 (0.029 g, 0.031 mmol), BINAP (0.039 g, 0.062 mmol), Cs2CO3 (0.204 g, 0.625 mmol), EtOH (0.091 mL, 1.54 mmol), and DME (4 mL) is heated in a microwave reactor at 135° C. for 1.5 h. At that point LCMS showed consumption of the starting material. The mixture is filtered and then the filtrate is concentrated. The residue is then purified by flash chromatography (0-10% MeOH/DCM) give 4-(6,7-Dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl)-3-ethoxybenzonitrile. MS (ESI) m/z 254.1 (M+H); 1H NMR (400 MHz, MeOD) (TFA salt) δ ppm 1.32 (t, J=6.9 Hz, 3H), 2.69-2.82 (m, 1H), 3.07-3.22 (m, 3H), 4.02-4.22 (m, 2H), 5.92-6.03 (m, 1H), 7.27 (d, J=7.8 Hz, 1H), 7.31 (s, 1H), 7.36 (dd, J=7.8, 1.5 Hz, 1H), 7.43 (d, J=1.3 Hz, 1H), 8.68 (s, 1H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09278969B2
Source datasetuspto-grants-2016_03
ORD IDord-7afc702444bf4ebaa97b87a2f6a6d8dc
Source noteuspto-grants-2016_03