CAS 832740-29-1

1-(3,4-Dimethylphenyl)-4,4-difluoro-1,3-butanedione

Description:

1-(3,4-Dimethylphenyl)-4,4-difluoro-1,3-butanedione, identified by its CAS number 832740-29-1, is an organic compound characterized by its unique structure that includes a butanedione backbone substituted with a 3,4-dimethylphenyl group and two fluorine atoms. This compound typically exhibits a yellow to orange color and is known for its potential applications in organic synthesis and as a building block in pharmaceuticals. The presence of the difluoro substituents enhances its reactivity and may influence its electronic properties, making it a subject of interest in materials science and medicinal chemistry. Its melting and boiling points, solubility, and stability can vary based on environmental conditions and the presence of solvents. As with many organic compounds, safety precautions should be observed when handling this substance, as it may pose health risks if ingested or inhaled. Overall, its distinctive chemical structure and properties make it a valuable compound for research and industrial applications.

Formula: C₁₂H₁₂F₂O₂

InChI: InChI=1S/C12H12F2O2/c1-7-3-4-9(5-8(7)2)10(15)6-11(16)12(13)14/h3-5,12H,6H2,1-2H3

InChI key: InChIKey=IALCAMREMCZMLO-UHFFFAOYSA-N

SMILES: C(CC(C(F)F)=O)(=O)C1=CC(C)=C(C)C=C1

Synonyms:

• 1,3-Butanedione, 1-(3,4-dimethylphenyl)-4,4-difluoro-
• 1-(3,4-Dimethylphenyl)-4,4-difluoro-1,3-butanedione

1-(3,4-Dimethylphenyl)-4,4-difluorobutane-1,3-dione

CAS: 832740-29-1

1-(3,4-Dimethylphenyl)-4,4-difluorobutane-1,3-dione is a drug that inhibits the enzyme ido1, which plays an important role in immune response to viruses. This compound binds to the active site of ido1 and blocks the conversion of tryptophan to kynurenine. It has been shown to be effective against endometriosis and inorganic mercury poisoning as well as inhibiting HIV infection and cancer. 1-(3,4-Dimethylphenyl)-4,4-difluorobutane-1,3-dione is a chiral molecule with two enantiomers: R and S. The R form has been shown to be more potent than the S form. The polymorphic nature of this compound can lead to different physical properties depending on its crystalline state; for example, it may exist as either a monoclinic or cubic crystal structure

Formula: C₁₂H₁₂F₂O₂

Purity: Min. 95%

Molecular weight: 226.22 g/mol

Ref: 3D-HIB74029