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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 992254Generated: November 1, 2026

HCID 22179371, compound → HCID 9840312, compound

https://huagongshe.com/reaction/992254

Reaction equation

Participants

RoleNameHCIDCharge
ReactantHCID 22179371HCID 22179371—
CatalystPalladium hydroxideHCID 9942167—
SolventMethanolHCID 887—
ProductHCID 9840312HCID 9840312—

Reaction Steps

A mixture of 3-benzyl-9-(phenylsulfonyl)-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole (VIII, Step II, 453 mg, 1.09 mmol) in methanol (50 mL) is treated with palladium hydroxide (118 mg) and hydrogenated at 30 psi for 5 days. The mixture is filtered, rinsing with methanol and methylene chloride, and the filtrate concentrated under reduced pressure to give an amorphous solid. The material is purified by flash chromatography (Biotage 40M; methanol/methylene chloride, 5/95; methanol/methylene chloride/ammonium hydroxide, 20/79/1) to give the title compound. Analytical data for the hydrochloride salt, mp=290-291.5°; IR (drift) 3382, 2751, 2698, 2689, 2646, 2438, 1297, 1150, 1131, 1095, 801, 759, 722, 684 and 616 cm−1; NMR (300 MHz, DMSO-d6) 11.65, 7.35, 8.05-8.15, 7.85-7.95, 7.40-7.65, 3.20-3.40 and 3.10-3.25 δ; MS (EI) m/z 326 (M+), 298, 297, 286, 285, 284, 143 and 77; HRMS (FAB) calculated for C18H19N2O2S=327.1167, found 327.1165.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS06468999B1
Source datasetuspto-grants-2002_10
ORD IDord-dd1b871f941549b6922687255fc37c2e
Source noteuspto-grants-2002_10