1-(4-Chlorophenyl)-4,4,4-trifluoro-1,3-butanedione

CAS: 18931-60-7

Ref. 3D-FC55359

Product Information

• Name: 1-(4-Chlorophenyl)-4,4,4-trifluoro-1,3-butanedione
• Synonyms: 1-(4-Chlorophenyl)-4,4,4-Trifluorobutane-1,3-Dione, 3-(4-Chlorobenzoyl)-1,1,1-Trifluoroacetone, 4-(4-Chlorophenyl)-1,1,1-Trifluoro-2,4-Butanedione, 4,4,4-Trifluoro-1-(4-Chlorophenyl)-1,3-But Anedione, Akos Msc-0334, Akos B006855, Art-Chem-Bb B006855, (3Z)-4-(4-chlorophenyl)-1,1,1-trifluoro-4-hydroxybut-3-en-2-one

Description

1-(4-Chlorophenyl)-4,4,4-trifluoro-1,3-butanedione is a luminescent compound that has been shown to have anticancer activity. The nitrogen atoms in the molecule are protonated and the anion is stabilized by hydrogen bonding. In acid solutions, the anion undergoes acid-catalyzed protonation with a concomitant release of energy. 1-(4-Chlorophenyl)-4,4,4-trifluoro-1,3-butanedione is synthesized from hydrochloric acid and 4-(chloromethyl)benzonitrile through a previously unknown reaction mechanism. It has been shown to be cytotoxic to K562 cells at high concentrations (>10 mM), but not to MCF7 cells at similar concentrations. This suggests that it may be selectively toxic to cancerous cells.

• Brand: Biosynth

Chemical properties

• Molecular weight: 250.6 g/mol
• Formula: C₁₀H₆ClF₃O₂
• Purity: Min. 95%
• InChI: InChI=1S/C10H6ClF3O2/c11-7-3-1-6(2-4-7)8(15)5-9(16)10(12,13)14/h1-4H,5H2
• InChI key: InChIKey=LJHFYVKVIIMXQM-UHFFFAOYSA-N
• SMILES: O=C(CC(=O)C(F)(F)F)c1ccc(Cl)cc1