CAS 85098-88-0

1-(4′-Bromo[1,1′-biphenyl]-4-yl)-3-phenyl-2-propen-1-one

Description:

1-(4′-Bromo[1,1′-biphenyl]-4-yl)-3-phenyl-2-propen-1-one, also known by its CAS number 85098-88-0, is an organic compound characterized by its structure, which includes a bromo-substituted biphenyl moiety and a chalcone framework. This compound typically exhibits a yellow to orange color and is known for its potential applications in organic synthesis and materials science. It possesses a conjugated system that can contribute to its photophysical properties, making it of interest in fields such as organic electronics and photochemistry. The presence of the bromine atom enhances its reactivity and can facilitate further chemical modifications. Additionally, the compound may exhibit biological activity, which warrants investigation for potential pharmaceutical applications. Its solubility and stability can vary depending on the solvent and conditions, making it important to consider these factors in practical applications. Overall, this compound represents a versatile building block in organic chemistry with implications in various research areas.

Formula: C₂₁H₁₅BrO

InChI: InChI=1S/C21H15BrO/c22-20-13-11-18(12-14-20)17-7-9-19(10-8-17)21(23)15-6-16-4-2-1-3-5-16/h1-15H

InChI key: InChIKey=NTCBUXIQMLORSI-UHFFFAOYSA-N

SMILES: C(C=CC1=CC=CC=C1)(=O)C2=CC=C(C=C2)C3=CC=C(Br)C=C3

Synonyms:

• 1-(4′-Bromobiphenyl-4-yl)-3-phenylpropenone
• 1-(4′-Bromo[1,1′-biphenyl]-4-yl)-3-phenyl-2-propen-1-one
• 2-Propen-1-one, 1-(4′-bromo[1,1′-biphenyl]-4-yl)-3-phenyl-

1-(4'-Bromobiphenyl-4-yl)-3-phenylpropenone

CAS: 85098-88-0

1-(4'-Bromobiphenyl-4-yl)-3-phenylpropenone is a chalcone that contains a phenyl ring, an aromatic group, and a carbonyl group. It crystallizes in the orthorhombic space group P2(1) with cell dimensions of a = 17.927 Å, b = 14.611 Å, c = 6.077 Å, β=106° and has an optical rotation of [α]D20=+58° (c=0.5, MeOH). The structure of 1-(4'-bromobiphenyl-4-yl)-3-phenylpropenone was determined by X-ray diffraction analysis and found to have a dihedral angle of 45° between the two phenyl rings. The molecule also has a layered conformation due to the interaction between the methylene groups on each benzene ring and the carbony

Formula: C₂₁H₁₅BrO

Purity: Min. 95%

Molecular weight: 363.2 g/mol

Ref: 3D-KDA09888