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

Basic Information

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CAS Number

135631-90-2

Molecular Formula

C11H12BrNO

Molecular Weight

254.13 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

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

Pale-yellow to Yellow-brown Solid

SMILES

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CC1(C)CC(=O)Nc2ccc(Br)cc21

InChI

InChI=1S/C11H12BrNO/c1-11(2)6-10(14)13-9-4-3-7(12)5-8(9)11/h3-5H,6H2,1-2H3,(H,13,14)

InChIKey

FTRFIBKHXWYJAW-UHFFFAOYSA-N

LogP

3.068900000000001

Topological Polar Surface Area

29.1 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

252

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H320 Causes eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

6-Bromo-3,4-dihydro-4,4-dimethylquinolin-2(1H)-one
6-bromo-4,4-dimethyl-1,3-dihydroquinolin-2-one
6-Bromo-4,4-dimethyl-3,4-dihydro-1H-quinolin-2-one
4,4-dimethyl-6-bromo-2-oxo-1,2,3,4-tetrahydroquinoline
4,4-dimethyl-6-bromo-2-oxo-quinoline
6-Bromo-3,4-dihydro-4,4-dimethyl-2(1H)-quinolinone
6-Bromo-4,4-dimethyl-3,4-dihydroquinolin-2(1H)-one
6-BROMO-4,4-DIMETHYL-1,2,3,4-TETRAHYDROQUINOLIN-2-ONE
PubChem17960
FTRFIBKHXWYJAW-UHFFFAOYSA-N
SC2181

MDL Number

MFCD00795100

Customs Code

2933790090

FAQ

What are the physical and chemical properties of 6-Bromo-4,4-dimethyl-3,4-dihydro-2(1H)-quinolinone (CAS: 135631-90-2)?

6-Bromo-4,4-dimethyl-3,4-dihydro-2(1H)-quinolinone is a crystalline solid with a molecular weight of approximately 246.04 g/mol. It has a high solubility in organic solvents like DMSO and acetonitrile but is sparingly soluble in water. The compound is known for its low reactivity under normal conditions, but it can undergo substitution reactions in the presence of strong bases or reducing agents.

How is 6-Bromo-4,4-dimethyl-3,4-dihydro-2(1H)-quinolinone (CAS: 135631-90-2) typically synthesized?

6-Bromo-4,4-dimethyl-3,4-dihydro-2(1H)-quinolinone can be synthesized via a multistep process involving bromination of 4,4-dimethyl-3,4-dihydro-2(1H)-quinolinone. This typically involves the use of N-bromosuccinimide (NBS) as a brominating agent in the presence of a suitable solvent like dichloromethane. The reaction is carried out under UV light to enhance the reactivity and yield is usually around 70-80%.

What industries use 6-Bromo-4,4-dimethyl-3,4-dihydro-2(1H)-quinolinone (CAS: 135631-90-2)?

6-Bromo-4,4-dimethyl-3,4-dihydro-2(1H)-quinolinone is primarily used in the pharmaceutical industry for the synthesis of various medicinal compounds. It also finds applications in the polymer industry for the development of specialty polymers, and in the semiconductor industry for the fabrication of organic thin-film transistors and sensors.

What precautions should be taken when handling 6-Bromo-4,4-dimethyl-3,4-dihydro-2(1H)-quinolinone (CAS: 135631-90-2)?

When handling 6-Bromo-4,4-dimethyl-3,4-dihydro-2(1H)-quinolinone, it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety glasses, and a lab coat. The compound should be stored in a cool, dry place away from direct sunlight and ignition sources. In case of a spill, use appropriate spill clean-up kits and ensure proper disposal. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information.