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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 38013Generated: October 25, 2026

Water → (1E,4E)-ethyl 2-(tert-butoxycarbonylamino)-8-(3-cyanophenyl)-3H-benzo[b]azepine-4-carboxylate

https://huagongshe.com/reaction/38013

Reaction equation

Participants

RoleNameHCIDCharge
ReactantWaterHCID 962—
ReactantCesium fluorideHCID 25953—
Reactant3-Cyanophenylboronic acidHCID 2734325—
ReactantEthyl 8-bromo-2-((tert-butoxycarbonyl)amino)-3H-benzo[b]azepine-4-carboxylateHCID 58228529—
CatalystHCID 178418397HCID 178418397—
SolventTetrahydrofuranHCID 8028—
Product(1E,4E)-ethyl 2-(tert-butoxycarbonylamino)-8-(3-cyanophenyl)-3H-benzo[b]azepine-4-carboxylateHCID 8665348152%

Reaction Steps

A mixture of (1E,4E)-ethyl 8-bromo-2-(tert-butoxycarbonylamino)-3H-benzo[b]azepine-4-carboxylate (2.05 g, 5 mmol), 3-cyanophenylboronic acid (1.47 g, 10 mmol), CsF (2.28 g, 15 mmol), and Pd(PPh3)4 (0.345 g, 0.3 mmol) in anhydrous THF (100 mL) was refluxed for 12 h. After cooling to room temperature, the reaction mixture was poured into water and extracted with EtOAc. The combined organic layers were dried over Na2SO4, filtered, and concentrated under reduced pressure to give the crude material that was purified by silica gel flash column chromatography to afford 1.12 g (52%) of (1E,4E)-ethyl 2-(tert-butoxycarbonylamino)-8-(3-cyanophenyl)-3H-benzo[b]azepine-4-carboxylate.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08524702B2
Source datasetuspto-grants-2013_09
ORD IDord-036b2186255e45f59b78f09bfc018353
Source noteuspto-grants-2013_09