Flopropione

Flopropione is a 5-HT1A receptor antagonist and also a catechol-o-methyltransferase (COMT) inhibitor.

Flopropione is an organic molecular entity.

General procedure: AlClGeneral procedure: Phloroglucinol (3; 10.81 g, 85.8 mmol) in carbon disulphide (50 mL) was transferred into a two-necked round-bottomed flask and allowed to stir while aluminium trichloride (46.43 g, 351.8 mmol, 4.1 equiv) was added. Nitrobenzene (40 mL) was then added to the solution over 30 min. The solution was then heated under reflux at 55 °C for 30 min. A solution of 2-methylbutanoyl chloride (2) (10.89 g, 85.8 mmol) dissolved in 5 mL nitrobenzene was added to the reaction mixture over 30 min, followed by heating for another 30 min. The reaction mixture was allowed to cool with stirring and then poured into an ice-water bath (400 mL). 100 mL of 3 m hydrochloric acid was then added and the mixture extracted with diethyl ether (3 * 500 mL). General procedure: The mixture of phloroglucinol (0.05 mol) and anhydrous aluminum chloride (0.1 mol) were dissolved in dichloromethane (50 mL). Phloroglucinol and aluminum chloride easily dissolved in the solvent and HCl was observed to be produced when the reaction temperature rose to about 33 °C. The mixture was heated for 10 min at 40 °C and the acyl chloride (0.05 mol) was added dropwise. After refluxing for 15 min, 0.05 mol of HCl was added to quench the reaction. The solvent was evaporated off, and the resultant product extracted with ethyl acetate. The ethyl acetate extract was purified using flash column chromatography over silica gel, eluted with petroleum ether/ethyl acetate (10:1) [22].

antispasmodic

Molecular Weight:182.17
XLogP3:1.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:182.05790880
Monoisotopic Mass:182.05790880
Topological Polar Surface Area:77.8
Heavy Atom Count:13
Complexity:180
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes