Back
HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1502480Generated: October 31, 2026

Ethyl Acetate → HCID 71115218, compound

https://huagongshe.com/reaction/1502480

Reaction equation

Participants

RoleNameHCIDCharge
ReactantEthyl AcetateHCID 8857—
ReactantDiisopropylethylamineHCID 81531—
ReactantMethanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1)HCID 9886157—
Reactant(1R,2R)-2-fluorocyclopropanecarboxylic acidHCID 10011855—
SolventDimethylformamideHCID 6228—
ProductHCID 71115218HCID 7111521846%

Reaction Conditions

Temperature70 °C

Reaction Steps

A mixture of (1R,2R)-2-fluorocyclopropanecarboxylic acid (35 mg, 0.34 mmol), HATU (139 mg, 0.36 mmol), and N,N-diisopropylethylamine (89 mg, 0.68 mmol) in DMF (1 mL) was heated at 70° C. for 8 hours. The reaction mixture was diluted with ethyl acetate (50 mL) and washed with water (25 mL). The organic layer was separated, dried over sodium sulfate, filtered and concentrated in vacuo to provide a residue that was purified by reverse phase HPLC purification (5-85% ACN in water w/0.1% NH4OH, 14 min). Desired fractions were combined and evaporated in vacuo to afford the title compound as an off-white solid (25 mg, 46%). 1H NMR (400 MHz, DMSO) δ 11.20 (s, 1H), 9.50 (s, 1H), 9.34 (s, 1H), 8.68 (s, 1H), 8.68 (s, 1H), 8.50 (d, J=5.0 Hz, 1H), 8.19 (s, 1H), 7.39 (d, J=5.0 Hz, 1H), 5.08-4.85 (m, 1H), 2.44 (s, 3H), 2.30 (m, 1H), 1.72 (m, 1H), 1.23 (m, 1H). LCMS (Method E): RT=3.166 min, M+H+=323.2.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09206175B2
Source datasetuspto-grants-2015_12
ORD IDord-2ce9b4c3a88440998429ca082ad5a0b4
Source noteuspto-grants-2015_12