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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 555344Generated: October 30, 2026

Ethyl Acetate → 5'-Chloro-3-methyl-2'-oxo-1',2,2',3,4,9-hexahydrospiro[beta-carboline-1,3'-indol]-6-carbonitrile

https://huagongshe.com/reaction/555344

Reaction equation

Participants

RoleNameHCIDCharge
ReactantEthyl AcetateHCID 8857—
ReactantHCID 57948762HCID 57948762—
ReactantHCID 178418546HCID 178418546—
SolventHexaneHCID 8058—
SolventN-methyl-2-pyrrolidoneHCID 13387—
Product5'-Chloro-3-methyl-2'-oxo-1',2,2',3,4,9-hexahydrospiro[beta-carboline-1,3'-indol]-6-carbonitrileHCID 66987097—

Reaction Steps

Compound 63 (30 mg, 0.072 mmol), CuCN (9.67 mg, 0.108 mmol) in N-methylpyrrolidone (0.12 mL) was refluxed for 16 hr. The solvent was removed under reduced pressure overnight and the black residue was stirred for 30 minutes with 30% aq. ammonia (0.2 mL), followed by addition of chloroform. An insoluble material was filtered off and washed 5 times with boiling chloroform. The organic phases were combined, washed with water and dried with sodium sulfate. The product was isolated using flash column chromatography with 10%-35% EtOAc in hexane (3.0 mg, 11.5%). 1H NMR (300 MHz, DMSO-d6): δ 11.11 (s, 1H), 10.54 (s, 1H), 7.99 (s, 1H), 7.92-7.83 (m, 3H), 7.05 (d, J=2.1 Hz, 1H), 6.94 (d, J=8.4 Hz, 1H), 3.98-3.85 (m, 1H), 2.85 (dd, J=15.5, 3.6 Hz, 1H), 2.42 (dd, J=15.3, 10.5 Hz, 1H), 1.18 (d, J=6.9 Hz, 3H); MS (ESI) m/z 363.0 (M+H)+.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08053442B2
Source datasetuspto-grants-2011_11
ORD IDord-6ce21af25bcf4907a79a07169f8d65df
Source noteuspto-grants-2011_11