ethyl 5-(4-fluorophenyl)-1,2-oxazole-3-carboxylate | CAS No. 640291-92-5

ethyl 5-(4-fluorophenyl)-1,2-oxazole-3-carboxylate

Basic Information

CAS Number

640291-92-5

Molecular Formula

C12H10FNO3

Molecular Weight

235.21 g/mol

AD

Basic Physical Properties

CCOC(=O)c1cc(on1)c2ccc(F)cc2

InChI

InChI=1S/C12H10FNO3/c1-2-16-12(15)10-7-11(17-14-10)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3

InChIKey

IYDBYHCVVNAFSM-UHFFFAOYSA-N

LogP

2.657400000000001

Topological Polar Surface Area

52.33 Ų

Hydrogen Bond Donor/Acceptor

0 / 4

Synonyms & References

English

  • ethyl 5-(4-fluorophenyl)isoxazole-3-carboxylate
  • 3-(4-FLUORO-PHENYL)-ISOXAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
  • ETHYL-5-(4-FLUOROPHENYL)-ISOXAZOLE-3-CARBOXYLATE
  • 3-Isoxazolecarboxylic acid, 5-(4-fluorophenyl)-, ethyl ester
  • Ethyl 5-(4-fluorophenyl)-1,2-oxazole-3-carboxylate
  • LogP

MDL Number

MFCD08446405

FAQ

What are the physical and chemical properties of ethyl 5-(4-fluorophenyl)-1,2-oxazole-3-carboxylate (CAS: 640291-92-5)?

Ethyl 5-(4-fluorophenyl)-1,2-oxazole-3-carboxylate (CAS: 640291-92-5) is a crystalline solid with a molecular weight of approximately 250.23 g/mol. It is sparingly soluble in water but soluble in organic solvents like ethanol and acetonitrile. This compound exhibits good stability under normal conditions but reacts readily with strong oxidizing agents. Its melting point is around 150-155°C.

How is ethyl 5-(4-fluorophenyl)-1,2-oxazole-3-carboxylate (CAS: 640291-92-5) typically synthesized?

Ethyl 5-(4-fluorophenyl)-1,2-oxazole-3-carboxylate is typically synthesized via a multistep process involving the condensation of 4-fluorophenyl isocyanate with ethyl 1,2-oxazole-3-carboxylate. The reaction is usually carried out under mild conditions, utilizing a suitable catalyst to enhance yield and selectivity. The overall process provides good yields and is commonly performed in organic solvents.

What industries use ethyl 5-(4-fluorophenyl)-1,2-oxazole-3-carboxylate (CAS: 640291-92-5)?

Ethyl 5-(4-fluorophenyl)-1,2-oxazole-3-carboxylate (CAS: 640291-92-5) is primarily used in the pharmaceutical and chemical industries. It serves as a valuable intermediate in the synthesis of various drugs and is also used in the development of sensors and materials due to its unique chemical properties.

What precautions should be taken when handling ethyl 5-(4-fluorophenyl)-1,2-oxazole-3-carboxylate (CAS: 640291-92-5)?

When handling ethyl 5-(4-fluorophenyl)-1,2-oxazole-3-carboxylate (CAS: 640291-92-5), it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a laboratory coat. The compound should be stored in a well-ventilated area and handled under a fume hood to minimize exposure. Proper spill cleanup procedures should be followed, and the Safety Data Sheet (SDS) should be consulted for detailed instructions.

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