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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2108559Generated: October 31, 2026

Triphenylphosphine → N-Trifluoroacetyl-8-chloro-1-methylene-2,3,4,5-tetrahydro-1H-3-benzazepine

https://huagongshe.com/reaction/2108559

Reaction equation

Participants

RoleNameHCIDCharge
ReactantTriphenylphosphineHCID 11776—
ReactantPotassium AcetateHCID 517044—
ReactantN-Allyl,N-trifluoroacetyl-2-iodo-4-chlorophenethylamineHCID 24773729—
CatalystTetrabutylammonium BromideHCID 74236—
Catalystpalladium(II) acetateHCID 167845—
SolventDimethylformamideHCID 6228—
ProductN-Trifluoroacetyl-8-chloro-1-methylene-2,3,4,5-tetrahydro-1H-3-benzazepineHCID 2229283143.7%

Reaction Steps

A solution of N-allyl,N-trifluoroacetyl-2-iodo-4-chlorophenethylamine (0.76 g, 1.8 mmol) in dimethylformamide (20 mL) was treated with KOAc (0.53 g, 5.4 mmol), n-Bu4NBr (0.58 g, 1.8 mmol), PPh3 (0.047 g, 0.18 mmol), Pd(OAc)2 (0.041 g, 0.18 mmol) and stirred overnight at 105 C. The product mixture was cooled to 20 C, filtered, diluted with water (100 mL), extracted with ether (3×100 mL), the combined organic phases washed with water (100 mL), brine (100 mL), dried with Na2SO4 and concentrated. Flash chromatography (10% EtOAc in hexane, silica) resulted in 0.228 g of a clear oil. 1H NMR (400 MHz, CDCl3) d 7.29 (s, 1H), 7.18 (m, 1H), 7.04 (m, 1H), 5.38 (m, 2H), 5.40 (d, J=16 Hz, 2H), 3.80 (m, 2H), 3.00 (m, 2H). MS calculated for C13H11ClF3NO+H: 290, observed: 290.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07514422B2
Source datasetuspto-grants-2009_04
ORD IDord-2dc1ce41c65442fbb49f0c4683f0d6dd
Source noteuspto-grants-2009_04