CAS 842123-90-4

1-[4-(1,1-Dimethylethyl)phenyl]-3-(1,3-dioxolan-2-yl)-1-propanone

Description:

1-[4-(1,1-Dimethylethyl)phenyl]-3-(1,3-dioxolan-2-yl)-1-propanone, also known by its CAS number 842123-90-4, is an organic compound characterized by its complex structure that includes a ketone functional group and a dioxolane ring. This compound features a bulky tert-butyl group attached to a phenyl ring, which contributes to its steric properties and may influence its reactivity and solubility. The presence of the dioxolane moiety suggests potential applications in organic synthesis and as a building block in the development of pharmaceuticals or agrochemicals. Typically, compounds of this nature exhibit moderate to low volatility and may be soluble in organic solvents, depending on their specific functional groups. Additionally, the compound's stability and reactivity can be influenced by the electronic effects of the substituents on the aromatic ring and the dioxolane. Safety data and handling precautions should be considered, as with any chemical substance, to ensure safe usage in laboratory or industrial settings.

Formula: C₁₆H₂₂O₃

InChI: InChI=1S/C16H22O3/c1-16(2,3)13-6-4-12(5-7-13)14(17)8-9-15-18-10-11-19-15/h4-7,15H,8-11H2,1-3H3

InChI key: InChIKey=SPKXAMCESUCLEM-UHFFFAOYSA-N

SMILES: C(CCC1OCCO1)(=O)C2=CC=C(C(C)(C)C)C=C2

Synonyms:

• 1-[4-(1,1-Dimethylethyl)phenyl]-3-(1,3-dioxolan-2-yl)-1-propanone
• 1-Propanone, 1-[4-(1,1-dimethylethyl)phenyl]-3-(1,3-dioxolan-2-yl)-