Back
HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1874277Generated: November 1, 2026

Dimethyl Sulfoxide → HCID 59459216, compound

https://huagongshe.com/reaction/1874277

Reaction equation

Participants

RoleNameHCIDCharge
ReactantDimethyl SulfoxideHCID 679—
ReactantOxalyl chlorideHCID 65578—
ReactantHCID 23582607HCID 23582607—
SolventDichloromethaneHCID 6344—
ProductHCID 59458427HCID 5945842714%
ProductHCID 59459216HCID 5945921660%

Reaction Conditions

Temperature-78 °C

Reaction Steps

To a solution of oxalyl chloride (2 M in CH2Cl2, 150 uL) at −78° C. was added DMSO (47 mg, 0.60 mmol) dropwise. The reaction mixture was stirred at −78° C. for 15 min, then 1-((R)-1-(3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl)-1-(4-fluorophenyl)-2-phenylethyl)-3-((1R,2R)-2-hydroxycyclopentyl)urea (Example 246, 113 mg, 0.20 mmol) in CH2Cl2 (1 mL) was added dropwise. The reaction mixture was allowed to warm to rt and stirred for 16 h. The reaction mixture was concentrated under reduced pressure and purified by ISCO flash chromatography with EtOAc and hexane as eluting solvent to yield (R)-1-(1-(3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl)-1-(4-fluorophenyl)-2-phenylethyl)-3-(5-oxocyclopent-1-enyl)urea (Example 333) as a white solid (15 mg, 14% yield) and 1-((R)-1-(3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl)-1-(4-fluorophenyl)-2-phenylethyl)-3-((R)-2-oxocyclopentyl)urea (Example 334) as a white solid (66 mg, 60% yield). (R)-1-(1-(3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl)-1-(4-fluorophenyl)-2-phenylethyl)-3-(5-oxocyclopent-1-enyl)urea: HPLC: RT=3.99 min [M+H] 551.09 (Phenomenex Luna C18 column, 4.6×50 mm eluting with 10-90% MeOH/H2O over 4 minutes containing 0.1% TFA; 4 mL/min, monitoring at 220 nm); 1H NMR (400 MHz, CDCl3) δ ppm 1.24-1.37 (m, 1H), 1.36-1.58 (m, 1H), 1.68-1.84 (m, 1H), 1.84-2.00 (m, 2H), 2.12-2.30 (m, 3H), 2.48-2.73 (m, 1H), 3.58-4.05 (m, 3H), 5.35-5.52 (m, 1H), 5.64-6.03 (m, 2H), 6.62-6.78 (m, 2H), 6.78-7.02 (m, 5H), 7.04-7.23 (m, 5H). 1-((R)-1-(3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl)-1-(4-fluorophenyl)-2-phenylethyl)-3-((R)-2-oxocyclopentyl)urea: HPLC: RT=4.09 min [M+H] 549.1 (Phenomenex Luna C18 column, 4.6×50 mm eluting with 10-90% MeOH/H2O over 4 minutes containing 0.1% TFA; 4 mL/min, monitoring at 220 nm); 1H NMR (400 MHz, CDCl3) δ ppm 1.84-1.94 (m, 2H), 2.43-2.62 (m, 2H) 3.92 (dd, 2H) 5.82 (t, 1H) 6.62-6.78 (m, 2H) 6.79-6.88 (m, 1H) 6.90-7.01 (m, 5H), 7.01-7.15 (m, 3H), 7.14-7.25 (m, 2H), 7.62-7.74 (m, 1H), 8.09-8.25 (m, 1H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08304403B2
Source datasetuspto-grants-2012_11
ORD IDord-61d2ba80b6f64f508d4bb62274e6718a
Source noteuspto-grants-2012_11