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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2306944Generated: October 31, 2026

Ethyl Acetate → HCID 22396713, compound

https://huagongshe.com/reaction/2306944

Reaction equation

Participants

RoleNameHCIDCharge
ReactantEthyl AcetateHCID 8857—
ReactantSodium hydrideHCID 24758—
Reactant2-chloro-N,N-dimethylacetamideHCID 75886—
Reactanttert-butyl 1,4,5,6-tetrahydroazepino[4,5-b]indole-3(2H)-carboxylateHCID 22396759—
SolventDimethylformamideHCID 6228—
ProductHCID 22396713HCID 2239671390%

Reaction Steps

tert-Butyl 1,4,5,6-tetrahydroazepino[4,5-b]indole-3(2H)-carboxylate (0.100 g, 0.349 mmol) was dissolved in DMF (1.0 mL) under N2 at rt. NaH (0.0450 g, 1.13 mmol, 3.22 equiv., 60% dispersion) was added and the mixture was stirred at rt for 30 min. 2-Chloro-N,N-dimethylacetamide (86 μL, 0.102 g, 0.838 mmol, 2.4 equiv.) was added, and the reaction mixture was stirred at rt for 24 h. The reaction mixture was poured over ice, thenextracted with EtOAc (2×). The organic extracts was washed first with water, then with brine and dried over MgSO4. The organic extracts was filtered and concentrated to yield a crude product (0.148 g). The crude product was chromatographed (SiO2 18 g, eluted with 3:1 toluene:acetone) to give tert-butyl 6-[2-(dimethylamino)-2-oxoethyl]-1,4,5,6-tetrahydroazepino[4,5-b]indole-3(2H)-carboxylate (0.116 g) in 90% yield. 1H NMR (300 MHz, CDCl3) δ 1.50, 2.87-2.95, 3.01, 3.00-3.07, 3.13, 3.68-3.80, 4.85, 7.07-7.19, 7.47-7.51; MS (ESI+) for C21H29N3O3 m/z 372.2 (M+H)+.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS06828314B2
Source datasetuspto-grants-2004_12
ORD IDord-ff0591bfa6194c4294718c8a8561e810
Source noteuspto-grants-2004_12