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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1041688Generated: November 1, 2026

Chloroacetyl chloride → 1-(3-Nitro-7,8-dihydro-6H-5-oxa-9-aza-benzocyclohepten-9-yl)-2-pyrrolidin-1-yl-ethanone

https://huagongshe.com/reaction/1041688

Reaction equation

Participants

RoleNameHCIDCharge
ReactantChloroacetyl chlorideHCID 6577—
ReactantTriethylamineHCID 8471—
ReactantPyrrolidineHCID 31268—
Reactant3-Nitro-6,7,8,9-tetrahydro-5-oxa-9-aza-benzocyclohepteneHCID 67264180—
Catalyst4-(Dimethylamino)pyridineHCID 14284—
SolventWaterHCID 962—
SolventAcetonitrileHCID 6342—
SolventDichloromethaneHCID 6344—
Product1-(3-Nitro-7,8-dihydro-6H-5-oxa-9-aza-benzocyclohepten-9-yl)-2-pyrrolidin-1-yl-ethanoneHCID 6726414374%

Reaction Steps

Chloroacetyl chloride (0.50 mL, 6.3 mmol; Acros) was added to a solution of 3-Nitro-6,7,8,9-tetrahydro-5-oxa-9-aza-benzocycloheptene (0.580 g, 2.99 mmol), Triethylamine (1.0 mL, 7.2 mmol), and 4-Dimethylaminopyridine (20 mg, 0.1 mmol; Acros) in Acetonitrile (40 mL) The reaction was stirred under an atmosphere of Nitrogen. After 3.5 h, Pyrrolidine (2.0 mL, 24 mmol) was added and stirred overnight. The mixture was diluted with DCM (30 mL) and water (30 mL), the layers separated and the aq. extracted with 10 mL DCM. The combined organics were washed with brine (20 mL) and dried, then conc. onto 4.5 g Celite. The residue was chromatographed (ISCO, 80 g Basic Alumina, 0-70% EtOAc:Hex) to afford 1-(3-Nitro-7,8-dihydro-6H-5-oxa-9-aza-benzocyclohepten-9-yl)-2-pyrrolidin-1-yl-ethanone as a yellow oil (664 mg, 74%). 1H-NMR (CDCl3): 7.92 (m, 2H), 7.44 (d, 1H, J=8.4 Hz), 4.2-4.6 (m, 4H), 3.15 (m, 2H), 2.48 (m, 4H), 2.10 (m, 2H), 1.70 (m, 4H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08552186B2
Source datasetuspto-grants-2013_10
ORD IDord-1e1d4ad1f02a458892ce9ebc470c5945
Source noteuspto-grants-2013_10