4-Cyanophenyl 4-(trans-4-ethylcyclohexyl)benzoate | CAS No. 89331-97-5

4-Cyanophenyl 4-(trans-4-ethylcyclohexyl)benzoate

Basic Information

CAS Number

89331-97-5

Molecular Formula

C22H23NO2

Molecular Weight

333.4 g/mol

AD

Basic Physical Properties

CCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H23NO2/c1-2-16-3-7-18(8-4-16)19-9-11-20(12-10-19)22(24)25-21-13-5-17(15-23)6-14-21/h5-6,9-14,16,18H,2-4,7-8H2,1H3

InChIKey

QSXYPHAWOSQCHP-UHFFFAOYSA-N

LogP

5.46128

Complexity

470

Synonyms & References

English

  • SCHEMBL9499896
  • 73592-83-3
  • 4-Cyano-phenyl-4'-trans-ethylcyclohexylbenzoate
  • 4-Cyanophenyl4-(trans-4-ethylcyclohexyl)benzoate
  • FT-0708853
  • C22H23NO2
  • SCHEMBL9499900
  • 4-Cyanophenyl 4-trans-(4-ethylcyclohexyl)benzoate
  • AKOS015917902
  • 4-CYANOPHENYL 4-(4-ETHYLCYCLOHEXYL)BENZOATE
  • W-100377
  • DTXSID001008756
  • (4-cyanophenyl) 4-(4-ethylcyclohexyl)benzoate
  • 4-Cyanophenyl trans-4-(4-ethylcyclohexyl)benzoate
  • EINECS 289-491-2
  • A861238
  • 89331-97-5
  • 4-Cyanophenyl 4-(trans-4-ethylcyclohexyl)benzoate
  • trans-4-(4-Ethylcyclohexyl)benzoic acid 4-cyanophenyl ester
  • 4-cyanophenyl 4-trans-(4-ethylcyclohexyl)benzoate

MDL Number

MFCD09751329

FAQ

What are the physical and chemical properties of 4-Cyanophenyl 4-(trans-4-ethylcyclohexyl)benzoate (CAS: 89331-97-5)?

4-Cyanophenyl 4-(trans-4-ethylcyclohexyl)benzoate is a white crystalline solid with a molecular weight of approximately 361.37 g/mol. It has a low solubility in water but is more soluble in organic solvents such as ethanol and acetone. The compound is relatively stable but can react with strong reducing agents. It is used in various applications requiring specific chemical properties.

How is 4-Cyanophenyl 4-(trans-4-ethylcyclohexyl)benzoate (CAS: 89331-97-5) typically synthesized?

4-Cyanophenyl 4-(trans-4-ethylcyclohexyl)benzoate is typically synthesized via a multistep process involving the coupling of a cyanophenyl group with a benzoate derivative. Commonly, the reaction is catalyzed by palladium-based complexes under microwave-assisted conditions. The yield is generally high, and the reaction is selective, ensuring the formation of the desired product.

What industries use 4-Cyanophenyl 4-(trans-4-ethylcyclohexyl)benzoate (CAS: 89331-97-5)?

4-Cyanophenyl 4-(trans-4-ethylcyclohexyl)benzoate is used in the pharmaceutical industry for the development of novel drugs. It is also utilized in the polymer industry as an additive to improve material properties. Additionally, it finds applications in the sensor and semiconductor industries due to its unique chemical functionalities.

What precautions should be taken when handling 4-Cyanophenyl 4-(trans-4-ethylcyclohexyl)benzoate (CAS: 89331-97-5)?

When handling 4-Cyanophenyl 4-(trans-4-ethylcyclohexyl)benzoate, it is crucial to wear personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure to vapors. Spills should be cleaned up immediately using appropriate absorbents. It is advisable to consult the safety data sheet (SDS) for detailed handling and safety information.

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