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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1851045Generated: October 31, 2026

Cyanoacetic acid → HCID 86714532, compound

https://huagongshe.com/reaction/1851045

Reaction equation

Participants

RoleNameHCIDCharge
ReactantCyanoacetic acidHCID 9740—
ReactantMethanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1)HCID 9886157—
ReactantHCID 86714533HCID 86714533—
SolventWaterHCID 962—
SolventDichloromethaneHCID 6344—
ProductHCID 86714532HCID 8671453269.1%

Reaction Steps

A solution of 3-(4-(2,3-difluorophenoxy)-2-fluorophenyl)-1-((S)-pyrrolidin-2-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine (2.4 g Crude, 3.65 mmol, 1.00 equiv), 2-cyanoacetic acid (0.47 g, 5.48 mmol, 1.50 equiv), HATU (2.08 g, 5.48 mmol, 1.50 equiv), TEA (2.54 ml, 18.25 mmol, 5.00 equiv) in DCM (40 mL) was stirred overnight at room temperature. The resulting mixture was diluted with water, and extracted with DCM. The DCM layers were combined and washed with brine, dried over Na2SO4 and concentrated. The residue was submitted to flash chromatography (SiO2, PE: EtOAc=2:1 to 1:1) to give 1.28 g (69%) of 3-((S)-2-((4-amino-3-(4-(2,3-difluorophenoxy)-2-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl)pyrrolidin-1-yl)-3-oxopropanenitrile as a yellow solid.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08957080B2
Source datasetuspto-grants-2015_02
ORD IDord-6e4d77883a214a3a9727ddff65fd5fa1
Source noteuspto-grants-2015_02