1-(1H-Indol-1-yl)ethanone

Basic Information

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CAS Number

576-15-8

Molecular Formula

C10H9NO

Molecular Weight

159.19 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

Boiling Point

123-125 °C/8 mmHg

Refractive Index

n20/D 1.607(lit.)

SMILES

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O=C(N1C=CC2=C1C=CC=C2)C

InChI

InChI=1S/C10H9NO/c1-8(12)11-7-6-9-4-2-3-5-10(9)11/h2-7H,1H3

InChIKey

UUCUQJHYUPXDHN-UHFFFAOYSA-N

LogP

2.3014

Topological Polar Surface Area

22.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

190

Synonyms & References

English

1-ACETYLINDOLE
1-ACETYL-1H-INDOLE
1-indol-1-ylethanone
Ethanone,1-(1H-indol-1-yl)-
NSC 521758

MDL Number

MFCD00038005

Customs Code

29339990

FAQ

What are the physical and chemical properties of 1-(1H-Indol-1-yl)ethanone (CAS: 576-15-8)?

1-(1H-Indol-1-yl)ethanone (CAS: 576-15-8) is a crystalline solid with a molecular weight of approximately 176.23 g/mol. It has a melting point of around 155-157°C and is sparingly soluble in water but soluble in organic solvents like ethanol and acetone. Chemically, it is known for its reactivity towards nucleophiles and electrophiles, making it useful in various organic transformations.

How is 1-(1H-Indol-1-yl)ethanone (CAS: 576-15-8) typically synthesized?

1-(1H-Indol-1-yl)ethanone (CAS: 576-15-8) can be synthesized via a condensation reaction between indole and acetaldehyde, typically catalyzed by a Lewis acid such as aluminum chloride. The reaction is performed under mild conditions to ensure selectivity and high yield, with careful control of temperature and reaction time to prevent side reactions.

What industries use 1-(1H-Indol-1-yl)ethanone (CAS: 576-15-8)?

1-(1H-Indol-1-yl)ethanone (CAS: 576-15-8) has applications in the pharmaceutical industry, where it serves as a precursor in the synthesis of bioactive compounds. It is also used in the sensor technology sector for developing chemical sensors due to its molecular recognition capabilities. Additionally, it finds utility in the polymer industry for modifying polymer properties.

What precautions should be taken when handling 1-(1H-Indol-1-yl)ethanone (CAS: 576-15-8)?

When handling 1-(1H-Indol-1-yl)ethanone (CAS: 576-15-8), it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Ensure the work is conducted in a well-ventilated area or a fume hood to avoid inhalation of vapors. Spills should be cleaned up using appropriate absorbent materials, and the area should be thoroughly rinsed with water. Always consult the Safety Data Sheet (SDS) for detailed handling and emergency procedures.