5-Methyl-1-isoindolinone

Basic Information

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CAS Number

65399-03-3

Molecular Formula

C9H9NO

Molecular Weight

147.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Density

1.155±0.06 g/cm3 (20 ºC 760 Torr),

SMILES

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Cc1ccc2C(=O)NCc2c1

InChI

InChI=1S/C9H9NO/c1-6-2-3-8-7(4-6)5-10-9(8)11/h2-4H,5H2,1H3,(H,10,11)

InChIKey

AHKBMKCIJLCNIH-UHFFFAOYSA-N

LogP

1.23842

Topological Polar Surface Area

29.1 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Synonyms & References

English

5-Methylisoindolin-1-one
5-Methyl-2,3-dihydro-isoindol-1-one
5-methyl-2,3-dihydroisoindol-1-one

MDL Number

MFCD09056875

FAQ

What are the physical and chemical properties of 5-Methyl-1-isoindolinone (CAS: 65399-03-3)?

5-Methyl-1-isoindolinone (CAS: 65399-03-3) is a white crystalline solid with a molecular weight of approximately 158.17 g/mol. It is slightly soluble in water but highly soluble in organic solvents like ethanol and acetone. It is relatively stable under normal conditions but can react with strong acids and bases.

How is 5-Methyl-1-isoindolinone (CAS: 65399-03-3) typically synthesized?

5-Methyl-1-isoindolinone (CAS: 65399-03-3) is synthesized through the condensation of methyl acetoacetate with a suitable amine in the presence of a Lewis acid catalyst, such as aluminum chloride. This process provides good yield and selectivity.

What industries use 5-Methyl-1-isoindolinone (CAS: 65399-03-3)?

5-Methyl-1-isoindolinone (CAS: 65399-03-3) is primarily used in the pharmaceutical and chemical industries for the synthesis of intermediates and other compounds. It also finds applications in the development of sensors and as a precursor in polymer chemistry.

What precautions should be taken when handling 5-Methyl-1-isoindolinone (CAS: 65399-03-3)?

When handling 5-Methyl-1-isoindolinone (CAS: 65399-03-3), it is important to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or under a fume hood. Spills should be cleaned up with care and following safety guidelines. Refer to the Material Safety Data Sheet (MSDS) for detailed safety information.