Ethyl 2-(4-fluorophenyl)-5-hydroxy-1-benzofuran-3-carboxylate | CAS No. 691856-86-7

Ethyl 2-(4-fluorophenyl)-5-hydroxy-1-benzofuran-3-carboxylate

Basic Information

CAS Number

691856-86-7

Molecular Formula

C17H13FO4

Molecular Weight

300.29 g/mol

AD

Basic Physical Properties

CCOC(=O)C1=C(OC2=C1C=C(C=C2)O)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H13FO4/c1-2-21-17(20)15-13-9-12(19)7-8-14(13)22-16(15)10-3-5-11(18)6-4-10/h3-9,19H,2H2,1H3

InChIKey

PCOIFIVNARQEPO-UHFFFAOYSA-N

LogP

4.121200000000003

Topological Polar Surface Area

59.67 Ų

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

394

Synonyms & References

English

  • 3-Benzofurancarboxylic acid, 2-(4-fluorophenyl)-5-hydroxy-, ethyl ester
  • PCOIFIVNARQEPO-UHFFFAOYSA-N
  • 691856-86-7
  • SY338112
  • ethyl 2-(4-fluorophenyl)-5-hydroxybenzofuran-3-carboxylate
  • ethyl 2-(4-fluorophenyl)-5-hydroxybenzo[b]furan-3-carboxylate
  • 2-(4-FLUORO-PHENYL)-5-HYDROXY-BENZOFURAN-3-CARBOXYLIC ACID ETHYL ESTER
  • DTXSID40717862
  • A922915
  • FT-0720810
  • MFCD18073883
  • SCHEMBL1918033
  • ethyl2-(4-fluorophenyl)-5-hydroxybenzofuran-3-carboxylate
  • CS-M1522
  • 2-(4-Fluorophenyl)-5-hydroxybenzofuran-3-carboxylic acid ethyl ester
  • 2-(4-Fluorophenyl)-5-hydroxy-3-benzofurancarboxylic acid ethyl ester
  • Ethyl 2-(4-fluorophenyl)-5-hydroxy-1-benzofuran-3-carboxylate
  • CS-13949
  • AKOS027323788
  • 2-(4-fluorophenyl)-5-hydroxy-3-Benzofurancarboxylic acid ethyl ester

MDL Number

MFCD18073883

FAQ

What are the physical and chemical properties of Ethyl 2-(4-fluorophenyl)-5-hydroxy-1-benzofuran-3-carboxylate (CAS: 691856-86-7)?

Ethyl 2-(4-fluorophenyl)-5-hydroxy-1-benzofuran-3-carboxylate is a crystalline compound with a molecular weight of approximately 288.2 g/mol. Its solubility in water is low, around 0.1 g/100 mL. It is highly reactive towards nucleophiles and can undergo hydrolysis under basic conditions. This compound is stable under acidic conditions but should be handled in a fume hood to avoid exposure to air and moisture.

How is Ethyl 2-(4-fluorophenyl)-5-hydroxy-1-benzofuran-3-carboxylate (CAS: 691856-86-7) typically synthesized?

Ethyl 2-(4-fluorophenyl)-5-hydroxy-1-benzofuran-3-carboxylate is typically synthesized via a multistep process involving the synthesis of 4-fluorophenylacetic acid, its esterification with ethyl bromide, followed by benzylation and condensation reactions. Commonly used catalysts include sulfuric acid or phosphoryl chloride. The final product shows high selectivity and yield, making it suitable for further medicinal chemistry applications.

What industries use Ethyl 2-(4-fluorophenyl)-5-hydroxy-1-benzofuran-3-carboxylate (CAS: 691856-86-7)?

Ethyl 2-(4-fluorophenyl)-5-hydroxy-1-benzofuran-3-carboxylate finds application in the pharmaceutical industry for the development of new drugs, particularly in cancer research and treatment. It is also used in the synthesis of sensor materials and as a building block in the development of novel materials such as polymers and semiconductors.

What precautions should be taken when handling Ethyl 2-(4-fluorophenyl)-5-hydroxy-1-benzofuran-3-carboxylate (CAS: 691856-86-7)?

When handling Ethyl 2-(4-fluorophenyl)-5-hydroxy-1-benzofuran-3-carboxylate, it is crucial to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place away from moisture and heat sources. Handling should be conducted in a fume hood to minimize exposure, and in case of a spill, it should be cleaned up carefully following standard laboratory procedures. Always refer to the Safety Data Sheet (SDS) for detailed safety information.

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