62679-61-2

Basic information

• Product Name: 4,4-DIFLUORO-1-PHENYL-1,3-BUTANEDIONE
• Synonyms: ART-CHEM-BB B010045;4,4-DIFLUORO-1-PHENYL-1,3-BUTADIONE;4,4-DIFLUORO-1-PHENYL-1,3-BUTANEDIONE;4,4-DIFLUORO-1-PHENYLBUTANE-1,3-DIONE;3-BENZOYL-1,1-DIFLUOROACETONE;AKOS B010045;AKOS MSC-0348;4,4-Difluoro-1-phenylbutan-1,3-dione
• CAS NO: 62679-61-2
• Molecular Formula: C₁₀H₈F₂O₂
• Molecular Weight: 198.17
• Product Categories: C10;Carbonyl Compounds;Ketones
• Mol File: 62679-61-2.mol
• Article Data: 4

Chemical Properties

• Melting Point: 47-51 °C(lit.)
• Boiling Point: 242 °C
• Flash Point: >230 °F
• Appearance: /
• Density: 1.22g/cm³
• Vapor Pressure: 0.00592mmHg at 25°C
• Refractive Index: 1.476
• CAS DataBase Reference: 4,4-DIFLUORO-1-PHENYL-1,3-BUTANEDIONE(CAS DataBase Reference)
• NIST Chemistry Reference: 4,4-DIFLUORO-1-PHENYL-1,3-BUTANEDIONE(62679-61-2)
• EPA Substance Registry System: 4,4-DIFLUORO-1-PHENYL-1,3-BUTANEDIONE(62679-61-2)

Safety Data

• Hazard Codes: Xi
• WGK Germany: 3
• Hazardous Substances Data: 62679-61-2(Hazardous Substances Data)

Usage

Uses

4,4-Difluoro-1-phenyl-1,3-butanedione (DPBD) may be used as a ligand to form the following metal complexes: Eu(DPBD)3·H2OEu(DPBD)3·biq (biq= 2,2-biquinoline)Eu(DPBD)3·phen (phen= 1,10-phenanthroline)Eu(DPBD)3·neo (neo= neocuproine)Eu(DPBD)3·bipy (bipy= 2,2-bipyridyl)Gd(DPBD)3·(H2O)2

General Description

4,4-Difluoro-1-phenyl-1,3-butanedione (DFPB) is a fluorinated β-diketone ligand that can be prepared by reacting acetophenone with methyl-difluoroacetate.

InChI:InChI=1/C10H8F2O2/c11-10(12)9(14)6-8(13)7-4-2-1-3-5-7/h1-5,10H,6H2

Upstream product

• 454-31-9 ethyl difluoroacetate 
• 98-86-2 acetophenone 
• 433-53-4 difluoroacetic acid methyl ester 

Downstream Products

• 21048-30-6 ¹⁸O-benzoic acid 
• 572915-12-9 2-(1-adamantyl)-4,4-difluoro-1-phenylbutane-1,3-dione 
• 1297593-84-0 2-benzoyl-3-(difluoromethyl)quinoxaline-1,4-dioxide 
• 1297593-83-9 2-benzoyl-3-(difluoromethyl)-7-methylquinoxaline-1,4-dioxide 
• 1297593-80-6 2-benzoyl-3-(difluoromethyl)-7-chloroquinoxaline 1,4-dioxide 
• 1297593-79-3 2-benzoyl-3-(difluoromethyl)-6,7-dichloroquinoxaline-1,4-dioxide 
• 1297593-82-8 2-benzoyl-3-(difluoromethyl)-7-methoxyquinoxaline-1,4-dioxide 
• 1297593-81-7 2-benzoyl-3-(difluoromethyl)-7-fluoroquinoxaline 1,4-dioxide 
• 343629-25-4 5-methylsulfonyl-2-[5-phenyl-3-difluoromethyl-1H-pyrazol-1-yl]pyridine 
• 212251-62-2 (Z)-3-amino-4,4-difluoro-1-phenylbut-2-en-1-one 

Relevant articles and documents

Synthesis, Photoluminescence Behavior of Green Light Emitting Tb(III) Complexes and Mechanistic Investigation of Energy Transfer Process

A series of five new terbium(III) ion complexes with 4,4-difluoro-1-phenylbutane-1,3-dione (HDPBD) and anciliary ligands was synthesized. The composition and properties of complexes were analyzed by elemental analysis, IR, NMR, powder X-ray diffaraction,

Discovery of a potent, selective and orally active canine COX-2 inhibitor, 2-(3-difluoromethyl-5-phenyl-pyrazol-1-yl)-5-methanesulfonyl-pyridine

Structure-activity relationship (SAR) studies of 2-[3-di(and tri)fluoromethyl-5-arylpyrazol-1-yl]-5-methanesulfonylpyridine derivatives for canine COX enzymes are described. This led to the identification of 12a as a lead candidate for further progression. The in vitro and in vivo activity of 12a for the canine COX-2 enzyme as well as its in vivo efficacy and pharmacokinetic properties in dog are highlighted.