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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1486528Generated: October 29, 2026

Water → HCID 71654963, compound

https://huagongshe.com/reaction/1486528

Reaction equation

Participants

RoleNameHCIDCharge
ReactantWaterHCID 962—
ReactantHexyl isocyanateHCID 75659—
Reactant5-CyanouracilHCID 78145—
SolventPyridineHCID 1049—
ProductHCID 71654963HCID 7165496316%

Reaction Conditions

Temperature100 °C

Reaction Steps

5-Cyanouracil (0.10 g, 0.73 mmol) was dissolved in dry pyridine (5.0 mL) and hexyl isocyanate (0.08 mL, 1.10 mmol) was added. The mixture was heated under microwave irradiation to 100° C. for 10 min and then was poured into water (50 mL). The product was extracted with dichloromethane (2×50 mL), the combined organic layers were dried over Na2SO2 and the solvent was concentrated under reduced pressure. The crude was purified by column chromatography using SI (2 g) cartridge (dichloromethane) and subsequently washed with warm heptane to afford the title compound (0.03 g, 16%) as white powder. 1H NMR (400 MHz, DMSO-d6): δ 0.86-0.96 (m, 3H), 1.29-1.41 (m, 6H), 1.57-1.70 (m, 2H), 3.44 (q, J=6.4, 2H), 5.01 (s, 1H), 8.85 (br s, 1H), 9.05 (s, 1H). MS (ESI) m/z: 263 [M-H]−.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09428465B2
Source datasetuspto-grants-2016_08
ORD IDord-f94b4d4fedc44fb39421c1303557157c
Source noteuspto-grants-2016_08