3-Propylisobenzofuran-1(3H)-one

Basic Information

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CAS Number

72424-08-9

Molecular Formula

C11H12O2

Molecular Weight

176.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

SMILES

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CCCC1C2=CC=CC=C2C(=O)O1

InChI

InChI=1S/C11H12O2/c1-2-5-10-8-6-3-4-7-9(8)11(12)13-10/h3-4,6-7,10H,2,5H2,1H3

InChIKey

TUIQQXQMQKATFQ-UHFFFAOYSA-N

LogP

2.698200000000001

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

200

Synonyms & References

English

3-PROPYL-3H-2-BENZOFURAN-1-ONE
CHEMBL274714
3-propylisobenzofuran-1(3H)-one
DTXSID40446766
72424-08-9
1(3H)-Isobenzofuranone, 3-propyl-
SCHEMBL873209
3-propyl-3H-2-benzofuran-1-one

FAQ

What are the physical and chemical properties of 3-Propylisobenzofuran-1(3H)-one (CAS: 72424-08-9)?

3-Propylisobenzofuran-1(3H)-one (CAS: 72424-08-9) is a crystalline solid with a molecular weight of approximately 218.3 g/mol. It has a low solubility in water but is soluble in common organic solvents like ethanol and acetone. The compound is moderately reactive under basic conditions and is stable under normal storage conditions. It exhibits good spectroscopic properties, including NMR and IR, which make it useful in analytical chemistry.

How is 3-Propylisobenzofuran-1(3H)-one (CAS: 72424-08-9) typically synthesized?

3-Propylisobenzofuran-1(3H)-one (CAS: 72424-08-9) is typically synthesized via a Friedel-Crafts acylation reaction. Benzofuran is treated with propionyl chloride in the presence of a Lewis acid catalyst, such as aluminum chloride, to form the final product. This method provides good yield and selectivity. The reaction is conducted under mild conditions and is suitable for both academic and industrial settings.

What industries use 3-Propylisobenzofuran-1(3H)-one (CAS: 72424-08-9)?

3-Propylisobenzofuran-1(3H)-one (CAS: 72424-08-9) is used in various industries. It has applications in pharmaceuticals for synthesizing certain drug intermediates, in polymers for enhancing properties, and in sensors due to its spectroscopic properties. The compound also finds use in semiconductor manufacturing, where its thermal stability and chemical reactivity are beneficial.

What precautions should be taken when handling 3-Propylisobenzofuran-1(3H)-one (CAS: 72424-08-9)?

When handling 3-Propylisobenzofuran-1(3H)-one (CAS: 72424-08-9), 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 a fume hood to minimize inhalation risks. Proper storage in closed containers away from heat and ignition sources is essential. In case of spills, immediately clean up using appropriate absorbents and dispose of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.