CAS 832737-81-2

2-Chloro-1,3-bis(4-methylphenyl)-1,3-propanedione

Description:

2-Chloro-1,3-bis(4-methylphenyl)-1,3-propanedione, identified by its CAS number 832737-81-2, is an organic compound characterized by its unique structure, which includes a chloro substituent and two 4-methylphenyl groups attached to a central propanedione moiety. This compound typically exhibits a yellow to orange color and is soluble in organic solvents such as acetone and ethanol, but has limited solubility in water due to its hydrophobic nature. It is known for its potential applications in organic synthesis and as a reagent in various chemical reactions, particularly in the field of medicinal chemistry. The presence of the chloro group can influence its reactivity and stability, making it a subject of interest in studies related to chemical reactivity and functionalization. Additionally, the compound may exhibit interesting photophysical properties, which could be explored for applications in materials science or as a dye. Safety precautions should be observed when handling this compound, as with many chlorinated organic substances, due to potential toxicity and environmental concerns.

Formula: C₁₇H₁₅ClO₂

InChI: InChI=1S/C17H15ClO2/c1-11-3-7-13(8-4-11)16(19)15(18)17(20)14-9-5-12(2)6-10-14/h3-10,15H,1-2H3

InChI key: InChIKey=WKKIODIAOMSUHK-UHFFFAOYSA-N

SMILES: C(C(C(=O)C1=CC=C(C)C=C1)Cl)(=O)C2=CC=C(C)C=C2

Synonyms:

• 1,3-Propanedione, 2-chloro-1,3-bis(4-methylphenyl)-
• 2-Chloro-1,3-bis(4-methylphenyl)-1,3-propanedione