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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1912833Generated: October 31, 2026

Propyl isocyanate → HCID 23154983, compound

https://huagongshe.com/reaction/1912833

Reaction equation

Participants

RoleNameHCIDCharge
ReactantPropyl isocyanateHCID 61033—
Reactant1-[4-(6-Aminopurin-9-yl)phenyl]-3-(4-chloro-3-(trifluoromethyl)phenyl)urea hydrochlorideHCID 23155120—
SolventPyridineHCID 1049—
ProductHCID 23154983HCID 2315498364%

Reaction Conditions

Temperature50 °C

Reaction Steps

In 10 mL of pyridine, 300 mg (0.62 mmol) of 1-[4-(6-aminopurin-9-yl)phenyl]-3-(4-chloro-3-(trifluoromethyl)phenyl)urea hydrochloride was dissolved, and 1.58 g (18.6 mmol) of propyl isocyanate was added thereto and the mixture solution was stirred at 50° C. for eight hours. The reaction solution was concentrated under reduced pressure, and then the residue was partitioned between ethyl acetate and water, and the organic layer was washed with a saturated sodium chloride solution, dried and concentrated. The residue was triturated with n-hexane:ethyl acetate=1:1, collected by filtration and vacuum dried to obtain 210 mg (64%) of 1-(9-(4-[3-(4-chloro-3-(trifluoromethyl)phenyl)ureido]phenyl)-9H-purin-6-yl)-3-propylurea (Table 1, Compound No. 119) as a white solid.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08609656B2
Source datasetuspto-grants-2013_12
ORD IDord-ce67cc46fb24449d9fe27189f4d89a15
Source noteuspto-grants-2013_12