8-Bromo-3,4-dihydro-2(1H)-quinolinone

Basic Information

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CAS Number

67805-68-9

Molecular Formula

C9H8BrNO

Molecular Weight

226.07 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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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Brc1cccc2CCC(=O)Nc12

InChI

InChI=1S/C9H8BrNO/c10-7-3-1-2-6-4-5-8(12)11-9(6)7/h1-3H,4-5H2,(H,11,12)

InChIKey

FRVJKZDEBVYRGZ-UHFFFAOYSA-N

LogP

2.333799999999999

Topological Polar Surface Area

29.1 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Synonyms & References

English

8-Bromo-3,4-dihydroquinolin-2(1h)-one
8-Bromo-3,4-dihydro-2(1H)-quinolinone
8-bromo-1,2,3,4-tetrahydroquinolin-2-one

MDL Number

MFCD19276423

FAQ

What are the physical and chemical properties of 8-Bromo-3,4-dihydro-2(1H)-quinolinone (CAS: 67805-68-9)?

8-Bromo-3,4-dihydro-2(1H)-quinolinone is a white crystalline solid with a molecular weight of approximately 227.09 g/mol. It has a solubility of about 8 mg/mL in water and 220 mg/mL in ethanol. The compound is moderately reactive, particularly towards nucleophilic substitution at the bromine atom. It is stable under normal storage conditions but can decompose upon heating.

How is 8-Bromo-3,4-dihydro-2(1H)-quinolinone (CAS: 67805-68-9) typically synthesized?

8-Bromo-3,4-dihydro-2(1H)-quinolinone can be synthesized via a bromination reaction of 3,4-dihydro-2(1H)-quinolinone with N-bromosuccinimide (NBS) in the presence of a radical initiator like azobisisobutyronitrile (AIBN). The reaction yields 8-bromo-3,4-dihydro-2(1H)-quinolinone with good selectivity and moderate yield.

What industries use 8-Bromo-3,4-dihydro-2(1H)-quinolinone (CAS: 67805-68-9)?

8-Bromo-3,4-dihydro-2(1H)-quinolinone is used in the pharmaceutical industry for the synthesis of certain drug intermediates and as a research compound for developing new drugs. It is also utilized in the polymer industry for the modification of polymer properties and in sensor technology for its unique reactivity.

What precautions should be taken when handling 8-Bromo-3,4-dihydro-2(1H)-quinolinone (CAS: 67805-68-9)?

When handling 8-Bromo-3,4-dihydro-2(1H)-quinolinone, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Handle in a well-ventilated area or fume hood to avoid inhalation of vapors. Store in a cool, dry place away from heat and direct sunlight. In case of spill, immediately contain and clean up using appropriate absorbent materials, and dispose of waste according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed safety information.