CAS 898764-70-0

1-(2-Fluorophenyl)-3,3-dimethyl-1-butanone

Description:

1-(2-Fluorophenyl)-3,3-dimethyl-1-butanone, identified by its CAS number 898764-70-0, is an organic compound characterized by its ketone functional group and a substituted aromatic ring. This compound features a butanone backbone with a fluorophenyl group at one end, which contributes to its unique chemical properties. The presence of the fluorine atom can influence the compound's reactivity, polarity, and overall stability, making it of interest in various chemical applications. Typically, compounds like this may exhibit moderate to high lipophilicity due to the bulky dimethyl groups and the aromatic ring, which can affect their solubility in organic solvents. Additionally, the presence of the fluorine atom may enhance the compound's biological activity, making it relevant in medicinal chemistry and drug design. Its synthesis and characterization would involve standard organic chemistry techniques, and it may be utilized in research settings for the development of pharmaceuticals or agrochemicals. Safety data and handling precautions should be observed, as with all chemical substances, to ensure safe laboratory practices.

Formula: C₁₂H₁₅FO

InChI: InChI=1S/C12H15FO/c1-12(2,3)8-11(14)9-6-4-5-7-10(9)13/h4-7H,8H2,1-3H3

InChI key: InChIKey=GSAGLACKEKPELM-UHFFFAOYSA-N

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

Synonyms:

• 1-(2-Fluorophenyl)-3,3-dimethyl-1-butanone
• 1-Butanone, 1-(2-fluorophenyl)-3,3-dimethyl-
• 3,3-Dimethyl-2′-fluorobutyrophenone