CAS 1119453-05-2

2-Bromo-1-(3,4-dihydro-2(1H)-isoquinolinyl)-1-butanone

Description:

2-Bromo-1-(3,4-dihydro-2(1H)-isoquinolinyl)-1-butanone is a chemical compound characterized by its unique structure, which includes a bromine atom and a ketone functional group. This compound features a butanone backbone, with a bromine substituent at the first position and a 3,4-dihydro-2(1H)-isoquinoline moiety attached to the first carbon. The presence of the isoquinoline structure suggests potential biological activity, as isoquinolines are often found in various natural products and pharmaceuticals. The compound is likely to exhibit moderate to high lipophilicity due to its hydrophobic isoquinoline component, which may influence its solubility and permeability in biological systems. Additionally, the bromine atom can enhance reactivity, making it a useful intermediate in organic synthesis. Safety and handling precautions should be observed, as brominated compounds can pose health risks. Overall, 2-Bromo-1-(3,4-dihydro-2(1H)-isoquinolinyl)-1-butanone represents a compound of interest in medicinal chemistry and synthetic organic chemistry.

Formula: C₁₃H₁₆BrNO

InChI: InChI=1S/C13H16BrNO/c1-2-12(14)13(16)15-8-7-10-5-3-4-6-11(10)9-15/h3-6,12H,2,7-9H2,1H3

InChI key: InChIKey=LEMCOILBVNEORA-UHFFFAOYSA-N

SMILES: C(C(CC)Br)(=O)N1CC=2C(CC1)=CC=CC2

Synonyms:

• 2-Bromo-1-(3,4-dihydro-2(1H)-isoquinolinyl)-1-butanone
• 2-Bromo-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)butan-1-one
• 1-Butanone, 2-bromo-1-(3,4-dihydro-2(1H)-isoquinolinyl)-
• 2-Bromo-1-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one