3-(4-Chlorobutanoyl)-1H-indole-5-carbonitrile

Basic Information

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CAS Number

276863-95-7

Molecular Formula

C13H11ClN2O

Molecular Weight

235.71 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 Nitriles

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

Boiling Point

489.85 ℃ at 760 mmHg

SMILES

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ClCCCC(=O)C1=CNC2=C1C=C(C=C2)C#N

InChI

InChI=1S/C13H11ClN2O/c14-5-1-2-13(17)11-8-16-12-4-3-9(7-15)6-10(11)12/h3-4,6,8,16H,1-2,5H2

InChIKey

DFORIOBMTPKWPE-UHFFFAOYSA-N

LogP

3.678020000000002

Topological Polar Surface Area

32.86 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

336

Synonyms & References

English

3-(4-Chlorobutanoyl)-1H-indole-5-carbonitrile
3-(4-Chloro-1-oxobutyl)indole-5-carbonitrile
3-(4-chloro-1-oxobutyl)-1H-indole-5-carbonitrile
3-(4-chlorobutyryl)-1H-indole-5-carbonitrile
3-(4-chlorobutanoyl)indole-5-carbonitrile
3-(4-chlorobutyryl)-1H-indol-5-carbonitrile
3-(4-chloro-butyryl)-1H-indole-5-carbonitrile
AK101606
ANW-62843
CTK8B9648
QC-8954
SureCN3738329
1H-Indole-5-carbonitrile, 3-(4-chloro-1-oxobutyl)-
DFORIOBMTPKWPE-UHFFFAOYSA-N
BCP08310
SY024413
AX8233145
BC3455859
ST24041461
3-(4-chlorobutyryl)-1H-indol-5-carb

MDL Number

MFCD09833260

FAQ

What are the physical and chemical properties of 3-(4-Chlorobutanoyl)-1H-indole-5-carbonitrile (CAS: 276863-95-7)?

3-(4-Chlorobutanoyl)-1H-indole-5-carbonitrile is a solid with a crystalline form. Its molecular weight is approximately 266.03 g/mol. It has low water solubility but is moderately soluble in organic solvents such as dichloromethane and acetonitrile. It is relatively stable under normal conditions but may react with strong bases to form indole derivatives. It is not flammable but should be stored in a cool, dry place away from direct sunlight.

How is 3-(4-Chlorobutanoyl)-1H-indole-5-carbonitrile (CAS: 276863-95-7) typically synthesized?

3-(4-Chlorobutanoyl)-1H-indole-5-carbonitrile can be synthesized through a multi-step process involving the condensation of 4-chlorobutanoyl chloride with 1H-indole-5-carbonitrile. This reaction typically proceeds via an acyl substitution reaction. The synthesis involves the use of a Lewis acid catalyst such as aluminum trichloride to enhance the reactivity. The overall yield is moderate, and the method is selective for the desired product.

What industries use 3-(4-Chlorobutanoyl)-1H-indole-5-carbonitrile (CAS: 276863-95-7)?

3-(4-Chlorobutanoyl)-1H-indole-5-carbonitrile is primarily used in the pharmaceutical industry as an intermediate for the synthesis of various indole derivatives. It is also utilized in the chemical industry for its potential applications in polymer synthesis and as a precursor in the development of new materials. Additionally, it may find use in the field of sensor technology and semiconductor manufacturing.

What precautions should be taken when handling 3-(4-Chlorobutanoyl)-1H-indole-5-carbonitrile (CAS: 276863-95-7)?

When handling 3-(4-Chlorobutanoyl)-1H-indole-5-carbonitrile, it is important to use appropriate personal protective equipment (PPE) such as gloves and safety goggles. This compound should be handled in a well-ventilated area or a fume hood to avoid inhalation. Spills should be cleaned up immediately using appropriate absorbent materials. In case of skin contact, wash the area thoroughly with soap and water. Keep the compound away from heat sources and flammable materials. Always consult the safety data sheet (SDS) for detailed information and guidelines.