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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2207405Generated: October 31, 2026

Sodium Carbonate → HCID 118092639, compound

https://huagongshe.com/reaction/2207405

Reaction equation

Participants

RoleNameHCIDCharge
ReactantSodium CarbonateHCID 10340—
ReactantN-(3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-4-(trifluoromethyl)pyrimidin-2-amineHCID 58456089—
ReactantHCID 131735909HCID 131735909—
CatalystHCID 178418807HCID 178418807—
SolventWaterHCID 962—
ProductHCID 118092639HCID 118092639—

Reaction Conditions

Temperature100 °C

Reaction Steps

Argon was bubbled through a mixture of 2-[(5-bromopyridin-2-yl)amino]-2-methylbutanenitrile (327 mg, 1.29 mmol), N-[3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4-(trifluoromethyl)pyrimidin-2-amine (488 mg, 1.29 mmol), and sodium carbonate (2 M, 1.28 mL, 2.57 mmol) in 2-methyl-THF (6.43 mL) for ˜5 minutes. PdCl2(dppf)-dichloromethane adduct (52.5 mg, 0.064 mmol) was added and the reaction was heated to 100° C. overnight. The cooled reaction mixture was diluted with water and extracted dichloromethane (3×). The organic layer was concentrated under reduced pressure and purified by reverse phase chromatography to yield 2-methyl-2-{[5-(3-methyl-5-{[4-(trifluoromethyl)pyrimidin-2-yl]amino}phenyl)pyridin-2-yl]amino}butanenitrile. MS APCI calc'd for C22H22F3N6 [M+H]+ 427. found 427. 1H NMR (500 MHz, CDCl3) δ 8.66 (d, J=5.3, 1H), 8.44 (s, 1H), 7.85-7.68 (m, 1H), 7.31 (t, J=17.9, 2H), 7.14-6.93 (m, 2H), 6.76 (d, J=9.3, 1H), 2.41 (s, 3H), 2.17-2.03 (m, 2H), 1.62 (s, 3H), 0.93 (t, J=7.3, 3H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09376418B2
Source datasetuspto-grants-2016_06
ORD IDord-b8e4ded23ed2400eb64c29261839e611
Source noteuspto-grants-2016_06