CAS 22531-07-3

2,3-Dihydro-3-(1-methylethyl)-1H-inden-1-one

Description:

2,3-Dihydro-3-(1-methylethyl)-1H-inden-1-one, also known by its CAS number 22531-07-3, is an organic compound characterized by its bicyclic structure, which includes an indene moiety. This compound features a ketone functional group, contributing to its reactivity and potential applications in organic synthesis. It is typically a colorless to pale yellow liquid with a distinctive odor. The presence of the isopropyl group (1-methylethyl) enhances its hydrophobic characteristics, influencing its solubility in organic solvents while rendering it less soluble in water. The compound may exhibit interesting chemical properties, including the ability to undergo various reactions such as electrophilic aromatic substitution or reduction, making it valuable in the synthesis of more complex organic molecules. Additionally, its structural features may impart biological activity, warranting investigation in pharmaceutical contexts. Safety data should be consulted for handling and storage, as with any chemical substance, to ensure proper precautions are taken.

Formula: C₁₂H₁₄O

InChI: InChI=1S/C12H14O/c1-8(2)11-7-12(13)10-6-4-3-5-9(10)11/h3-6,8,11H,7H2,1-2H3

InChI key: InChIKey=HGKUHNKHAFJFPW-UHFFFAOYSA-N

SMILES: C(C)(C)C1C=2C(C(=O)C1)=CC=CC2

Synonyms:

• 1H-Inden-1-one, 2,3-dihydro-3-(1-methylethyl)-
• 3-Isopropylindanone
• 1-Indanone, 3-isopropyl-
• 2,3-Dihydro-3-(1-methylethyl)-1H-inden-1-one
• 3-Isopropyl-1-indanone

3-(Propan-2-yl)-2,3-dihydro-1H-inden-1-one

CAS: 22531-07-3

The conformational analysis of 3-(Propan-2-yl)-2,3-dihydro-1H-inden-1-one was carried out by the technique of conformational analysis. It was found that this molecule has two possible conformations, one with an alkyl group in the axial position and another with an alkyl group on the equatorial position.

Formula: C₁₂H₁₄O

Purity: Min. 95%

Molecular weight: 174.24 g/mol

Ref: 3D-XAA53107