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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2097073Generated: October 30, 2026

Tri-o-tolylphosphine → (E)-3-(3,3-Dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)-N-(3-methoxy-2-propoxybenzyl)-N-methylacrylamide

https://huagongshe.com/reaction/2097073

Reaction equation

Participants

RoleNameHCIDCharge
ReactantTri-o-tolylphosphineHCID 80271—
ReactantDiisopropylethylamineHCID 81531—
ReactantN-(3-Methoxy-2-propoxybenzyl)-N-methylacrylamideHCID 57742093—
Reactant7-Bromo-3,3-dimethyl-1,3,4,5-tetrahydropyrido[2,3-e][1,4]diazepin-2-oneHCID 59456914—
Catalystpalladium(II) acetateHCID 167845—
SolventDiethyl EtherHCID 3283—
SolventDimethylformamideHCID 6228—
SolventPropionitrileHCID 7854—
SolventEthyl AcetateHCID 8857—
Product(E)-3-(3,3-Dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)-N-(3-methoxy-2-propoxybenzyl)-N-methylacrylamideHCID 1665998460.3%

Reaction Steps

A suspension of 7-bromo-3,3-dimethyl-1,3,4,5-tetrahydro-pyrido[2,3-e][1,4]diazepin-2-one (0.30 g, 1.1 mmol) and N-(3-methoxy-2-propoxybenzyl)-N-methylacrylamide (0.35 g, 1.3 mmol) in propionitrile (5 mL) and DMF (1.3 mL) was de-oxygenated with Ar for 5 min. The mixture was treated with (i-Pr)2EtN (0.41 mL, 2.4 mmol) and was de-oxygenated with Ar for 10 min. Pd(OAc)2 (25 mg, 0.11 mmol) and P(o-tol)3 (69 mg, 0.23 mmol) were added simultaneously, and the mixture was de-oxygenated a third time for 5 min. The mixture was heated to reflux overnight, then allowed to cool. The mixture was diluted with Et2O (50 mL) and EtOAc (25 mL), washed with H2O (25 mL), dried over Na2SO4, filtered and concentrated to an orange residue. Purification by flash column chromatography (silica gel, CH2Cl2/MeOH, 98:2 to 97:3) gave the title compound (0.30 g, 60%) as an off-white solid: MS (ESI) m/e 453 (M+H)+.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08450307B2
Source datasetuspto-grants-2013_05
ORD IDord-ce263ceaaf9b461f8bb00918bb2e6865
Source noteuspto-grants-2013_05