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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1071124Generated: October 30, 2026

Ethyl Acetate → HCID 22396842, compound

https://huagongshe.com/reaction/1071124

Reaction equation

Participants

RoleNameHCIDCharge
ReactantEthyl AcetateHCID 8857—
ReactantSodium HydroxideHCID 14798—
ReactantLithium borohydrideHCID 4148881—
ReactantHCID 22396905HCID 22396905—
SolventWaterHCID 962—
SolventTetrahydrofuranHCID 8028—
ProductHCID 22396842HCID 2239684258.9%

Reaction Steps

A solution of tert-butyl 8,10-dichloro-6-(2-ethoxy-2-oxoethyl)-1,4,5,6-tetrahydroazepino[4,5-b]indole-3(2H)-carboxylate (3.0 g, 6.8 mmol) in dry THF (30 mL) was cooled to 0° C. Then, LiBH4 (0.74 g, 34 mmol) was added and the reaction was allowed to warm slowly to rt. After 24 h, the reaction was diluted with H2O (75 mL) followed by addition of 10% aqueous NaOH (30 mL) and extraction with EtOAc (3×100 mL). The combined organic extracts were washed with brine, dried over Na2SO4, decanted, and concentrated. The crude product was purified by column chromatography (Biotage, 40M, SIM) with heptane/EtOAc (1:1) followed by crystallization from EtOAc/heptane gave 1.6 g (58%) of a white solid: mp 166.5-167.0° C.; IR (diffuse reflectance) 3462, 1665, 1458, 1426, 1367, 1362, 1342, 1264, 1249, 1165, 1115, 1081, 931, 828, 820 cm−1; MS (EI) m/z 398 (M+), 398, 342, 341, 298, 270, 268, 258, 256, 57, 56; Anal. Calcd for C19H24Cl2N2O3: C, 57.15; H, 6.06; N, 7.01; found: C, 57.08; H, 6.08; N, 6.97.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS06903090B2
Source datasetuspto-grants-2005_06
ORD IDord-ce1e0a9fbb6b47d4aad158978d66acb4
Source noteuspto-grants-2005_06