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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 336342Generated: October 29, 2026

Acetic Acid → HCID 90284582, compound

https://huagongshe.com/reaction/336342

Reaction equation

Participants

RoleNameHCIDCharge
ReactantAcetic AcidHCID 176—
ReactantBarbituric AcidHCID 6211—
ReactantHCID 90284555HCID 90284555—
SolventWaterHCID 962—
ProductHCID 90284582HCID 9028458261.7%

Reaction Conditions

Temperature110 °C

Reaction Steps

Intermediate 6 (800 mg, 1.95 mmol) and pyrimidine-2,4,6(1H,3H,5H)-trione (250 mg, 1.95 mmol) in a mixture of acetic acid (8 mL) and water (2 mL) was heated at 110° C. for 3.5 hours. The solvent was removed and the reaction mixture was purified using Super Critical Fluid Chromatography (Chiralpak IA column with 40% isopropanol and 60% CO2 mobile phase) to give the title compound (571 mg, 61.7% yield) as a solid as the first eluting compound. 1H NMR (300 MHz, DMSO-d6) δ 0.9 (d, 3H) 1.1 (d, 3H) 2.8-3.2 (m, 2H) 7.7 (s, 1H) 11.4 (s, 1H) 11.8 (s, 1H). MS (ES) MH+: 474 for C21H20FN5O7.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08889671B2
Source datasetuspto-grants-2014_11
ORD IDord-3f180362beac44bc8c52b209fda5c911
Source noteuspto-grants-2014_11