2-{4-[(E)-(2-Oxocyclohexylidene)methyl]phenyl}propanoic acid | CAS No. 69956-77-0

2-{4-[(E)-(2-Oxocyclohexylidene)methyl]phenyl}propanoic acid

Basic Information

CAS Number

69956-77-0

Molecular Formula

C16H18O3

Molecular Weight

258.32 g/mol

AD

Basic Physical Properties

CC(C1=CC=C(C=C1)C=C2CCCCC2=O)C(=O)O

InChI

InChI=1S/C16H18O3/c1-11(16(18)19)13-8-6-12(7-9-13)10-14-4-2-3-5-15(14)17/h6-11H,2-5H2,1H3,(H,18,19)/b14-10+

InChIKey

AUZUGWXLBGZUPP-GXDHUFHOSA-N

LogP

3.401200000000002

Topological Polar Surface Area

54.37 Ų

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

376

Synonyms & References

English

  • Q27251763
  • DTXCID2028721
  • CAS-69956-77-0
  • DW-330SR
  • 2-[4-[(E)-(2-oxocyclohexylidene)methyl]phenyl]propanoic acid
  • 1619C79FVJ
  • PELUBIPROFEN [JAN]
  • DB12150
  • RS-2131
  • PELUBIPROFEN [WHO-DD]
  • Pelubiprofen
  • GTPL9876
  • CHEMBL69308
  • CS 670
  • (+-)-p-(((E)-2-Oxocyclohexylidene)methyl)hydratropic acid
  • DTXSID2048795
  • CS-670
  • 69956-77-0
  • Pelubiprofen [INN]
  • Benzeneacetic acid, alpha-methyl-4-((2-oxocyclohexylidene)methyl)-
  • UNII-1619C79FVJ
  • 2-(4-{[(1E)-2-oxocyclohexylidene]methyl}phenyl)propanoic acid
  • SCHEMBL188062
  • D01865
  • HY-12383
  • DW330SR
  • Pelubiprofen (JAN/INN)
  • AKOS040742383
  • NCGC00183010-01
  • CS-0011235
  • compound 13b [PMID: 6607354]

MDL Number

MFCD00870907

FAQ

What are the physical and chemical properties of 2-{4-[(E)-(2-Oxocyclohexylidene)methyl]phenyl}propanoic acid (CAS: 69956-77-0)?

2-{4-[(E)-(2-Oxocyclohexylidene)methyl]phenyl}propanoic acid has a crystalline form with a molecular weight of approximately 310.45 g/mol. It has a limited solubility in water and a higher solubility in organic solvents like ethanol and acetone. The compound is relatively stable under normal conditions but can undergo hydrolysis in strongly acidic or basic media. It is reactive towards nucleophiles and can participate in condensation reactions.

How is 2-{4-[(E)-(2-Oxocyclohexylidene)methyl]phenyl}propanoic acid (CAS: 69956-77-0) typically synthesized?

2-{4-[(E)-(2-Oxocyclohexylidene)methyl]phenyl}propanoic acid is synthesized via a multi-step process that involves the condensation of 2-cyclohexenone and 4-bromobenzoic acid, followed by acid-catalyzed hydrolysis. The reaction typically requires a mild base catalyst and proceeds with high selectivity and moderate to good yield.

What industries use 2-{4-[(E)-(2-Oxocyclohexylidene)methyl]phenyl}propanoic acid (CAS: 69956-77-0)?

2-{4-[(E)-(2-Oxocyclohexylidene)methyl]phenyl}propanoic acid is utilized in the pharmaceutical industry for the synthesis of certain drugs. It is also employed in the polymer industry as a monomer for the production of special polymers. Additionally, it has potential applications in the development of sensors and semiconductors.

What precautions should be taken when handling 2-{4-[(E)-(2-Oxocyclohexylidene)methyl]phenyl}propanoic acid (CAS: 69956-77-0)?

When handling 2-{4-[(E)-(2-Oxocyclohexylidene)methyl]phenyl}propanoic acid, it is essential to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. The compound should be stored in a cool, dry place away from heat sources and strong acids or bases. In case of a spill, use appropriate absorbent materials and follow local safety regulations. Always consult the Safety Data Sheet (SDS) for detailed handling and emergency procedures.

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