1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone

Basic Information

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CAS Number

83393-46-8

Molecular Formula

C9H8N2O

Molecular Weight

160.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

202-206 °C

SMILES

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CC(=O)c1c[nH]c2ncccc12

InChI

InChI=1S/C9H8N2O/c1-6(12)8-5-11-9-7(8)3-2-4-10-9/h2-5H,1H3,(H,10,11)

InChIKey

OGMZQWPOZWMDQS-UHFFFAOYSA-N

LogP

1.7654999999999998

Topological Polar Surface Area

45.75 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H317 May cause an allergic skin reaction
Sensitization, Skin

H319 Causes serious eye irritation
Serious eye damage/eye irritation

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

Synonyms & References

English

3-Acetyl-7(1H)-azaindole
1-(1H-Pyrrolo[2,3-b]pyridin-3-yl)ethanone
3-Acetyl-7-Azaindole
Ethanone,1-(1H-pyrrolo[2,3-b]pyridin-3-yl)-
3-Acetyl-1H-pyrrolo[2,3-b]pyridine
1-{1H-pyrrolo[2,3-b]pyridin-3-yl}ethan-1-one

MDL Number

MFCD09743457

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone (CAS: 83393-46-8)?

1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone (CAS: 83393-46-8) is a crystalline solid with a molecular weight of approximately 246.24 g/mol. It has a limited solubility in water and is more soluble in organic solvents such as ethanol and acetone. The compound is moderately reactive and can undergo various chemical transformations. It is commonly used in pharmaceutical and chemical research due to its unique structural features.

How is 1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone (CAS: 83393-46-8) typically synthesized?

1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone (CAS: 83393-46-8) is typically synthesized via the condensation reaction of 3-acetylpyrrolo[2,3-b]pyridine with ethyl acetoacetate, catalyzed by Lewis acids such as aluminum chloride. The reaction yields a high purity product with good selectivity and yield, making it suitable for further chemical modifications and applications in pharmaceuticals.

What industries use 1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone (CAS: 83393-46-8)?

1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone (CAS: 83393-46-8) is primarily used in the pharmaceutical and chemical industries. It serves as a key intermediate for the synthesis of various bioactive compounds and is also utilized in the development of new materials, such as polymers and sensors. Its unique chemical structure makes it valuable in these applications due to its potential biological activities and functional properties.

What precautions should be taken when handling 1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone (CAS: 83393-46-8)?

When handling 1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone (CAS: 83393-46-8), it is important to use appropriate personal protective equipment (PPE), including gloves and safety goggles. The compound should be stored in a cool, dry place away from direct sunlight and potential ignition sources. Spills should be handled with caution and cleaned up using appropriate disposal methods. Always refer to the safety data sheet (SDS) for detailed information on handling, storage, and emergency procedures.