BEFLUBUTAMID Chemical Properties

Boiling point:

496.6±45.0 °C(Predicted)

Density 

1.250±0.06 g/cm3(Predicted)

pka

14.66±0.46(Predicted)

Major Application

agriculture
environmental

InChI

1S/C18H17F4NO2/c1-2-16(17(24)23-11-12-6-4-3-5-7-12)25-13-8-9-15(19)14(10-13)18(20,21)22/h3-10,16H,2,11H2,1H3,(H,23,24)

InChIKey

FFQPZWRNXKPNPX-UHFFFAOYSA-N

SMILES

CCC(Oc1ccc(F)c(c1)C(F)(F)F)C(=O)NCc2ccccc2

Safety Information

Hazard Codes 

N

Risk Statements 

50/53

Safety Statements 

60-61

RIDADR 

UN 3077 9 / PGIII

WGK Germany 

WGK 3

Storage Class

11 - Combustible Solids

Hazard Classifications

Aquatic Acute 1
Aquatic Chronic 1

BEFLUBUTAMID Usage And Synthesis

Uses

Beflubutamid is an antiparasitic agent, a herbicide.

Definition

ChEBI: N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanamide is a monocarboxylic acid amide resulting from the formal condensation of the carboxy group of 2-[4-fluoro-3-(trifluoromethyl)phenoxy]butyric acid with the amino group of benzylamine. It is a monocarboxylic acid amide, an aromatic ether, a member of monofluorobenzenes and a member of (trifluoromethyl)benzenes. It is functionally related to a benzylamine.

Synthesis

Under alkaline conditions, 4-fluoro-3-trifluoromethylphenol and ethyl 2-bromobutyrate undergo an O-alkylation reaction in an organic solvent, followed by reflux to give the intermediate ethyl 2-[4-fluoro-3-(trifluoromethyl)phenoxy]butyrate. This ester intermediate is reacted with benzylamine in toluene in the presence of sodium methoxide. After reflux, washing, concentration, and recrystallization (e.g., recrystallization with ethanol), Beflubutamid is obtained.

BEFLUBUTAMID(113614-08-7)Related Product Information

• 4-FLUORO-3-(TRIFLUOROMETHYL)ANISOLE
• BEFLUBUTAMID
• CHEMBRDG-BB 9071384
• 4-Fluoro-3-(trifluoromethyl)phenol
• 4-FLUORO-3-METHYLANISOLE