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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1094587Generated: October 27, 2026

Sodium Bicarbonate → 3-(4-Fluorobenzoyl)-8-(3-methoxyphenyl)-1,2,3,6-tetrahydroazepino[4,5-B]indole-5-carboxylic acid ethyl ester

https://huagongshe.com/reaction/1094587

Reaction equation

Participants

RoleNameHCIDCharge
ReactantSodium BicarbonateHCID 516892—
Reactant(3-Methoxyphenyl)boronic acidHCID 2734370—
Reactant8-Bromo-3-(4-fluorobenzoyl)-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylic acid ethyl esterHCID 57559146—
Catalystpalladium(II) acetateHCID 167845—
SolventDichloromethaneHCID 6344—
SolventToluene ethanolHCID 21863594—
Product3-(4-Fluorobenzoyl)-8-(3-methoxyphenyl)-1,2,3,6-tetrahydroazepino[4,5-B]indole-5-carboxylic acid ethyl esterHCID 5755913393.6%

Reaction Conditions

Temperature80 °C

Reaction Steps

To a stirred solution of 8-bromo-3-(4-fluorobenzoyl)-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylic acid ethyl ester (compound in Example 37A, 70 mg, 0.15 mmol), 3-methoxyphenylboronic acid (58 mg, 0.38 mmol), and (o-tolyl)3P (24 mg, 0.077 mmol) in toluene/EtOH (2:1, 3 mL) was added 0.55 mL of 1M NaHCO3 solution and Pd(OAc)2 (7 mg) at ambient temperature. The reaction mixture was heated at 80° C. under N2 for 1.5 hours and samples monitored by LC-MS. The solution was diluted with DCM (10 mL) and washed with brine. The aqueous phase was extracted with DCM (10 mL) twice. The combined organic phase was dried over Na2SO4 and concentrated. The crude product was purified by flash chromatograph on silica gel, eluting with EtOAc-hexane (0-30%) to yield the title compound (68 mg) as a light yellow solid; 1H-NMR (CDCl3): δ 10.76 (1H, s), 8.20 (1H, s), 7.78 (4H, m), 7.52 (2H, m), 7.42 (1H, d), 7.36 (3H, m), 7.04 (1H, m), 4.43 (4H, m), 4.05 (3H, s), 3.45 (2H, m), 1.39 (3H, t). MS (ESI): 485 (MH+).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08133992B2
Source datasetuspto-grants-2012_03
ORD IDord-0252046ef44d48f28e7383b504b0b41e
Source noteuspto-grants-2012_03