ChemicalBook--->CAS DataBase List--->113614-08-7

113614-08-7

113614-08-7 Structure

113614-08-7 Structure
IdentificationBack Directory
[Name]

BEFLUBUTAMID
[CAS]

113614-08-7
[Synonyms]

UBH-820
HERBAFLEX
Beubutamid
BEFLUBUTAMID
beflubutamid (bsi,iso)
Beflubutamid@100 μg/mL in Methanol
N-benzyl-2-(4-fluoro-3-(trifluoroMethyl)phenoxy)butanaMide
Butanamide, 2-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-(phenylmethyl)-
CHEMICALS-- BEFLUBUTAMID TECNICAL FREE SAMPLE OF NO COMMERCIAL VALUE.
[Molecular Formula]

C18H17F4NO2
[MDL Number]

MFCD04112601
[MOL File]

113614-08-7.mol
[Molecular Weight]

355.33
Chemical PropertiesBack Directory
[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 DataBack Directory
[Symbol(GHS) ]

Environment (GHS09)
GHS09
[Signal word ]

Warning
[Hazard statements ]

H410
[Precautionary statements ]

P273
[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
Hazard InformationBack Directory
[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.
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