Back
HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 506500Generated: October 26, 2026

Diisopropylethylamine → 1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one

https://huagongshe.com/reaction/506500

Reaction equation

Participants

RoleNameHCIDCharge
ReactantDiisopropylethylamineHCID 81531—
ReactantSodium BromideHCID 253881—
Reactant2-(tert-Butyl)-4-(piperazin-1-yl)-6-(trifluoromethyl)pyrimidineHCID 18399610—
Reactant1-(4-bromobutyl)-1,3,4,5-tetrahydro-2H-1-benzazepin-2-oneHCID 43165244—
Reactant1-(4-chlorobutyl)-1,3,4,5-tetrahydro-2H-1-benzazepin-2-oneHCID 61722200—
SolventN-methyl-2-pyrrolidoneHCID 13387—
Product1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-4,5-dihydro-1H-benzo[b]azepin-2(3H)-oneHCID 44407436—

Reaction Conditions

Temperature120 °C

Reaction Steps

A mixture of 1-(4-chlorobutyl)-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one and 1-(4-bromobutyl)-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one (0.40 g), 2-tert-butyl-4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine (1.59 mmol, 0.46 g, prepared as in DE 19735410), NaBr (7.94 mmol, 0.82 g), diisopropylethylamine (15.57 mmol, 2.01 g) and N-methylpyrrolidinone (0.6 ml) was heated at 120° C. for 5 hours. The suspension was then filtered, and the filtrate was evaporated to dryness. The residue was taken up in ethyl acetate and extracted with saturated brine. The organic phase was dried, the desiccant was filtered off, and the solution was evaporated to dryness. The residue was purified by chromatography on silica gel (eluent: dichloromethane/MeOH (0-100%), resulting in 0.58 g of the title compound.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07786105B2
Source datasetuspto-grants-2010_08
ORD IDord-76efdb8490834b2b897dd9ba22b01bbe
Source noteuspto-grants-2010_08