Back
HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 449564Generated: October 29, 2026

Potassium Phosphate, Tribasic → 2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-6-(5-(5-(1-(dimethylamino)-2-methylpropan-2-yloxy)pyridin-2-ylamino)-1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)-benzyl acetate

https://huagongshe.com/reaction/449564

Reaction equation

Participants

RoleNameHCIDCharge
ReactantPotassium Phosphate, TribasicHCID 62657—
Reactant2-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenylHCID 11155794—
Reactant2-(6-(tert-Butyl)-8-fluoro-1-oxophthalazin-2(1H)-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl acetateHCID 59473769—
Reactant6-chloro-4-(5-(1-(dimethylamino)-2-methylpropan-2-yloxy)pyridin-2-ylamino)-2-methylpyridazin-3(2H)-oneHCID 66742905—
Catalyst(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one; palladiumHCID 6505921—
Solvent1-ButanolHCID 263—
Product2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-6-(5-(5-(1-(dimethylamino)-2-methylpropan-2-yloxy)pyridin-2-ylamino)-1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)-benzyl acetateHCID 66742542—

Reaction Conditions

Temperature110 °C

Reaction Steps

A flask was charged with 2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl acetate (391 mg, 0.55 mmol), 6-chloro-4-(5-(1-(dimethylamino)-2-methylpropan-2-yloxy)pyridin-2-ylamino)-2-methylpyridazin-3(2H)-one (150 mg, 0.43 mmol), X-phos (31 mg, 0.06 mmol) and potassium phosphate tribasic (199 mg, 0.94 mmol). The mixture was taken up in n-butanol (2.8 ml) and water (0.67 ml) and vacuum de-gassed and placed under argon atmosphere. To this mixture was added bis(dibenzylideneacetone)palladium (17 mg, 0.03 mmol) and the vacuum de-gas cycle was repeated. The material was heated at 110° C. (oil bath) with vigorous stirring under argon atmosphere for 2.5 hours. The flask was cooled to ambient and the contents were taken up in water (35 ml) and ethyl acetate (35 ml). The contents were transferred to a separatory funnel and shaken. The organic phase was collected and washed with water (35 ml). The aqueous phases were back extracted with ethyl acetate (2×30 ml) and the organic phases combined, dried (magnesium sulfate), filtered and stripped. The remainder was purified by preparative thin layer chromatography (3 plates), eluting with 8% methanol/dichloromethane to provide desired product (together with some des-acetyl product) as a golden brown oil (312 mg). (M+H)+=684 (642) m/e.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08481540B2
Source datasetuspto-grants-2013_07
ORD IDord-3763af86d9f344cfb17ae51d15d57e34
Source noteuspto-grants-2013_07