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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1185138Generated: October 30, 2026

Potassium Phosphate, Tribasic → 2-(6-tert-Butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-4-(5-(5-(2-methoxyethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylamino)-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)nicotinaldehyde

https://huagongshe.com/reaction/1185138

Reaction equation

Participants

RoleNameHCIDCharge
ReactantPotassium Phosphate, TribasicHCID 62657—
ReactantSodium AcetateHCID 517045—
Reactant2-(6-tert-Butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-4-chloronicotinaldehydeHCID 86683915—
Reactant3-(5-(2-Methoxyethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylamino)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2(1H)-oneHCID 86683994—
CatalystWaterHCID 962—
CatalystBis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);dichloropalladium;iron(2+)HCID 178418228—
SolventAcetonitrileHCID 6342—
Product2-(6-tert-Butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-4-(5-(5-(2-methoxyethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylamino)-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)nicotinaldehydeHCID 8668399380%

Reaction Conditions

Temperature100 °C

Reaction Steps

A 25-mL round-bottomed flask equipped with a reflux condenser was charged with 2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-4-chloronicotinaldehyde 103b (100 mg, 0.28 mmol), 133d (144.4 mg, 0.42 mmol), Pd(dppf)Cl2 (11.3 mg, 0.0139 mmol), K3PO4 (117.8 mg, 0.556 mmol), sodium acetate (45.6 mg, 0.556 mmol), acetonitrile (10 mL), and water (3 drops). After three cycles of vacuum/N2 flush, the mixture was heated at 100° C. for 1 h under N2 protection. Analysis of the reaction mixture by LCMS showed complete conversion to the desired product. It was cooled to room temperature and filtered. The filtrate was concentrated under reduced pressure. The residue was purified by silica-gel column chromatography eluting with 40:1 dichloromethane/methanol to afford 133e as a yellow solid (140 mg, 80%). MS-ESI: [M+H]+ 627.3

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08669251B2
Source datasetuspto-grants-2014_03
ORD IDord-a8689f205f4b45c2aeb6e9720f73b506
Source noteuspto-grants-2014_03