Cas no 2902-60-5 (2,2-diphenylhexanoic acid)

2,2-Diphenylhexanoic acid is a substituted carboxylic acid featuring a hexanoic acid backbone with two phenyl groups at the 2-position. This structural configuration imparts steric hindrance and lipophilic character, making it useful in organic synthesis and pharmaceutical research. The compound’s stability and defined geometry are advantageous for applications in asymmetric catalysis, ligand design, and intermediates in drug development. Its aromatic substituents enhance solubility in nonpolar solvents, facilitating purification and handling. The acid functionality allows for further derivatization, enabling the synthesis of esters, amides, or other derivatives. 2,2-Diphenylhexanoic acid is valued for its versatility in constructing complex molecular architectures.
2,2-diphenylhexanoic acid structure
2,2-diphenylhexanoic acid structure
Product Name:2,2-diphenylhexanoic acid
CAS No:2902-60-5
MF:C18H20O2
MW:268.350205421448
MDL:MFCD30581078
CID:274717
PubChem ID:263120
Update Time:2025-06-26

2,2-diphenylhexanoic acid Chemical and Physical Properties

Names and Identifiers

    • Benzeneacetic acid, a-butyl-a-phenyl-
    • 2,2-diphenylhexanoic acid
    • 2,2-diphenyl-hexanoic acid
    • 2,2-Diphenylhexansaeure
    • 2,2-Diphenyl-hexansaeure
    • AC1L68ZO
    • AC1Q5RTI
    • AR-1D1647
    • CTK4G2589
    • n-Butyl-diphenyl-essigsaeure
    • NCIOpen2_006228
    • NSC97458
    • EN300-6481867
    • 2902-60-5
    • NSC-97458
    • Z2787465007
    • Benzeneacetic acid, alpha-butyl-alpha-phenyl-
    • CAA90260
    • DTXSID00294624
    • MDL: MFCD30581078
    • Inchi: 1S/C18H20O2/c1-2-3-14-18(17(19)20,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,2-3,14H2,1H3,(H,19,20)
    • InChI Key: LNRZCHCAPUVAOP-UHFFFAOYSA-N
    • SMILES: OC(C(C1C=CC=CC=1)(C1C=CC=CC=1)CCCC)=O

Computed Properties

  • Exact Mass: 268.1464
  • Monoisotopic Mass: 268.146329876g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 6
  • Complexity: 281
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.9
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • PSA: 37.3

2,2-diphenylhexanoic acid Pricemore >>

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2,2-diphenylhexanoic acid Related Literature

Additional information on 2,2-diphenylhexanoic acid

2,2-Diphenylhexanoic Acid (CAS No. 2902-60-5): An Overview of Its Properties, Applications, and Recent Research

2,2-Diphenylhexanoic acid (CAS No. 2902-60-5) is a versatile organic compound that has garnered significant attention in the fields of chemistry, biochemistry, and pharmaceutical research. This compound is characterized by its unique molecular structure, which consists of a hexanoic acid backbone with two phenyl groups attached to the second carbon atom. The distinctive arrangement of these functional groups imparts 2,2-diphenylhexanoic acid with a range of interesting properties and potential applications.

The chemical formula of 2,2-diphenylhexanoic acid is C14H18O2, and it has a molecular weight of approximately 218.3 g/mol. This compound is a white crystalline solid at room temperature and is soluble in organic solvents such as ethanol and acetone. Its melting point is around 77-79°C, making it suitable for various laboratory and industrial processes.

In the realm of pharmaceutical research, 2,2-diphenylhexanoic acid has been explored for its potential therapeutic applications. Recent studies have highlighted its anti-inflammatory and analgesic properties, which are attributed to its ability to inhibit cyclooxygenase (COX) enzymes. These enzymes play a crucial role in the production of prostaglandins, which are involved in inflammation and pain signaling. By modulating COX activity, 2,2-diphenylhexanoic acid may offer a promising approach to managing inflammatory conditions and pain.

Beyond its pharmacological potential, 2,2-diphenylhexanoic acid has also been investigated for its use in the development of new materials and chemical intermediates. Its rigid structure and functional groups make it an attractive candidate for the synthesis of polymers and other advanced materials. For instance, researchers have explored the use of 2,2-diphenylhexanoic acid as a building block in the creation of self-assembling monolayers (SAMs) and supramolecular assemblies, which have applications in nanotechnology and surface chemistry.

In the context of environmental chemistry, 2,2-diphenylhexanoic acid has been studied for its biodegradability and environmental impact. Recent studies have shown that this compound can be biodegraded by certain microbial strains under aerobic conditions. This finding is significant as it suggests that 2,2-diphenylhexanoic acid may be a more environmentally friendly alternative to other organic compounds that are less readily degraded.

The synthesis of 2,2-diphenylhexanoic acid can be achieved through various routes, including the reaction of diphenylacetylene with butyryl chloride followed by hydrolysis. Alternative synthetic methods involve the condensation of benzaldehyde with butyric acid in the presence of a suitable catalyst. These synthetic pathways provide chemists with flexible options for producing high-purity 2,2-diphenylhexanoic acid, which is essential for both research and industrial applications.

In terms of safety and handling, while 2,2-diphenylhexanoic acid is generally considered safe for laboratory use when proper precautions are taken, it is important to follow standard safety protocols to minimize any potential risks. This includes wearing appropriate personal protective equipment (PPE) such as gloves and goggles and working in a well-ventilated area or fume hood.

The future prospects for 2,2-diphenylhexanoic acid are promising. Ongoing research continues to uncover new applications and properties of this compound across various fields. For example, recent advancements in computational chemistry have enabled more detailed studies of the molecular dynamics and interactions of 2,2-diphenylhexanoic acid, providing valuable insights into its behavior in different environments.

In conclusion, 2,2-diphenylhexanoic acid (CAS No. 2902-60-5) is a multifaceted compound with a wide range of potential applications in pharmaceuticals, materials science, and environmental chemistry. Its unique molecular structure and versatile properties make it an intriguing subject for further research and development. As new findings continue to emerge, the significance of this compound is likely to grow even further.

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