Ethyl 1-(3-chlorophenyl)-5-cyano-1H-pyrazole-4-carboxylate | CAS No. 98476-16-5

Ethyl 1-(3-chlorophenyl)-5-cyano-1H-pyrazole-4-carboxylate

Basic Information

CAS Number

98476-16-5

Molecular Formula

C13H10ClN3O2

Molecular Weight

264.71 g/mol

AD

Basic Physical Properties

Melting Point

93-95 ºC

Density

1.31

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)Cl)C#N

InChI

InChI=1S/C13H10ClN3O2/c1-2-19-13(18)11-8-16-17(12(11)7-15)10-5-3-4-9(14)6-10/h3-6,8H,2H2,1H3

InChIKey

JPKWVUOGGMHDQQ-UHFFFAOYSA-N

LogP

3.0108200000000016

Topological Polar Surface Area

44.120000000000005 Ų

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

381

Synonyms & References

English

  • 98476-16-5
  • AMY11998
  • SCHEMBL10340616
  • FT-0732580
  • 1-(3-CHLOROPHENYL)-5-CYANO-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
  • ETHYL 1-(3-CHLOROPHENYL)-5-CYANOPYRAZOLE-4-CARBOXYLATE
  • DTXSID20548994
  • ethyl 1-(3-chlorophenyl)-5-cyano-1H-pyrazole-4-carboxylate
  • F17262
  • ethyl1-(3-chlorophenyl)-5-cyano-1H-pyrazole-4-carboxylate
  • AKOS015907883
  • Ethyl 1-(3-chlorophenyl)-5-cyano-1H-pyrazole-4-carboxylate
  • ethyl 1-(3-chlorophenyl)-5-cyanopyrazole-4-carboxylate

MDL Number

MFCD17215101

FAQ

What are the physical and chemical properties of Ethyl 1-(3-chlorophenyl)-5-cyano-1H-pyrazole-4-carboxylate (CAS: 98476-16-5)?

Ethyl 1-(3-chlorophenyl)-5-cyano-1H-pyrazole-4-carboxylate is a crystalline solid with a molecular weight of approximately 291.04 g/mol. It has poor water solubility but good solubility in organic solvents such as ethanol and acetone. This compound is highly reactive, showing potential for nucleophilic substitution reactions. It is also susceptible to acid and base hydrolysis.

How is Ethyl 1-(3-chlorophenyl)-5-cyano-1H-pyrazole-4-carboxylate (CAS: 98476-16-5) typically synthesized?

Ethyl 1-(3-chlorophenyl)-5-cyano-1H-pyrazole-4-carboxylate is commonly synthesized via a multistep process involving the formation of cyano-phenyl intermediate followed by its condensation with 1-ethoxy-5-pyrazole-4-carboxylic acid. The reaction typically requires a strong base such as sodium hydride and is conducted in a suitable solvent like dimethylformamide (DMF).

What industries use Ethyl 1-(3-chlorophenyl)-5-cyano-1H-pyrazole-4-carboxylate (CAS: 98476-16-5)?

Ethyl 1-(3-chlorophenyl)-5-cyano-1H-pyrazole-4-carboxylate is utilized in the pharmaceutical industry for the development of new drugs, particularly in the synthesis of antiviral and anti-inflammatory agents. It is also explored in the development of materials for electronic and optoelectronic applications due to its unique electronic properties.

What precautions should be taken when handling Ethyl 1-(3-chlorophenyl)-5-cyano-1H-pyrazole-4-carboxylate (CAS: 98476-16-5)?

When handling Ethyl 1-(3-chlorophenyl)-5-cyano-1H-pyrazole-4-carboxylate, it is essential to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated fume hood to minimize exposure. In case of spill, dispose of the material according to the safety data sheet (SDS) guidelines. Always refer to the latest SDS for detailed safety information.

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