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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2387986Generated: October 31, 2026

tert-Butanol → HCID 59405031, compound

https://huagongshe.com/reaction/2387986

Reaction equation

Participants

RoleNameHCIDCharge
Reactanttert-ButanolHCID 6386—
Reactant3-Bromo-2-methylpyridineHCID 1201003—
ReactantPotassium tert-butoxideHCID 23665647—
ReactantHCID 59405010HCID 59405010—
CatalystBis(dibenzylideneacetone)palladiumHCID 9811564—
Catalyst2-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenylHCID 11155794—
SolventWaterHCID 962—
ProductHCID 59405031HCID 5940503175%

Reaction Conditions

Temperature150 °C

Reaction Steps

To a mixture of 2-amino-9-chloro-10-[3-(dimethylamino)propyl]-5,7-dihydro-6H-pyrimido[5,4-d][1]benzazepin-6-one (0.10 g, 0.29 mmol), Xphos (8.6 mg, 0.018 mmol), tris(dibenzylideneacetone)dipalladium (4.7 mg, 0.0052 mmol) and 3-bromo-2-methylpyridine (50 mg, 0.29 mmol) in a dry, sealed microwave tube under an atmosphere of argon was added tert-butyl alcohol (1.0 mL) followed by a 1.0 M solution of potassium tert-butoxide in tert-butyl alcohol (0.58 mL, 0.58 mmol). The mixture was heated under microwave irradiation at 150° C. for 30 min. The reaction mixture was allowed to cool to rt and then added to water (50 mL). The precipitated solid was collected via suction filtration, washed with water, and dried to produce 9-chloro-10-[3-(dimethylamino)propyl]-2-[(2-methylpyridin-3-yl)amino]-5,7-dihydro-6H-pyrimido[5,4-d][1]benzazepin-6-one (95 mg, 0.21 mmol, 75%) as a brown solid. LCMS (FA): m/z=453.5 (M+H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08268992B2
Source datasetuspto-grants-2012_09
ORD IDord-e2589c10c94a4203a9a4caa18f9e6c7f
Source noteuspto-grants-2012_09