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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1370452Generated: November 1, 2026

Ethyl Acetate → HCID 22396842, compound

https://huagongshe.com/reaction/1370452

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 numberUS06583135B2
Source datasetuspto-grants-2003_06
ORD IDord-94c75ce9f99e484a89886c3d64981243
Source noteuspto-grants-2003_06