Cas no 4895-92-5 (Ethyl Phenanthrene-9-carboxylate)

Ethyl Phenanthrene-9-carboxylate is a synthetic organic compound derived from phenanthrene, featuring an ethyl ester functional group at the 9-position. This compound is primarily utilized in research and pharmaceutical applications due to its structural versatility and potential as an intermediate in organic synthesis. Its rigid polycyclic aromatic framework lends stability, making it suitable for studies in fluorescence, material science, and medicinal chemistry. The ethyl ester moiety enhances solubility in organic solvents, facilitating further derivatization. Ethyl Phenanthrene-9-carboxylate is valued for its well-defined chemical properties and reproducibility, supporting its use in method development and mechanistic investigations.
Ethyl Phenanthrene-9-carboxylate structure
4895-92-5 structure
Product Name:Ethyl Phenanthrene-9-carboxylate
CAS No:4895-92-5
MF:C17H14O2
MW:250.291864871979
CID:932174
PubChem ID:313229
Update Time:2025-06-08

Ethyl Phenanthrene-9-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl Phenanthrene-9-carboxylate
    • 9-PHENANTHRENECARBOXYLIC ACID ETHYL ESTER
    • 9-(Ethoxycarbonyl)phenanthrene
    • 9-Ethoxycarbonyl-phenanthren
    • Nsc226822
    • Phenanthren-9-carbonsaeure-aethylester
    • Phenanthren-carbonsaeure-(9)-ethylester
    • phenanthrene-9-carboxylic acid ethyl ester
    • DTXSID50964143
    • MFCD06204626
    • 5199-23-5
    • 4895-92-5
    • SCHEMBL14141531
    • AKOS015843487
    • NSC-226822
    • Inchi: 1S/C17H14O2/c1-2-19-17(18)16-11-12-7-3-4-8-13(12)14-9-5-6-10-15(14)16/h3-11H,2H2,1H3
    • InChI Key: ARHQZWZBFKDLTQ-UHFFFAOYSA-N
    • SMILES: O(CC)C(C1C=C2C=CC=CC2=C2C=CC=CC2=1)=O

Computed Properties

  • Exact Mass: 250.09942
  • Monoisotopic Mass: 250.099379685g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 3
  • Complexity: 325
  • 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: 4.6
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 26.3
  • LogP: 4.16970

Ethyl Phenanthrene-9-carboxylate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
A2B Chem LLC
AD21157-1g
ETHYL PHENANTHRENE-9-CARBOXYLATE
4895-92-5 97%
1g
$993.00 2024-04-19
A2B Chem LLC
AD21157-5g
ETHYL PHENANTHRENE-9-CARBOXYLATE
4895-92-5 97%
5g
$2523.00 2024-04-19

Additional information on Ethyl Phenanthrene-9-carboxylate

Comprehensive Overview of Ethyl Phenanthrene-9-carboxylate (CAS No. 4895-92-5): Properties, Applications, and Industry Insights

Ethyl Phenanthrene-9-carboxylate (CAS No. 4895-92-5) is an organic compound belonging to the class of phenanthrene derivatives. This esterified form of phenanthrene-9-carboxylic acid has garnered significant attention in pharmaceutical and material science research due to its unique structural properties. The compound's molecular formula is C17H14O2, with a molecular weight of 250.29 g/mol. Its ethyl ester group enhances solubility in organic solvents, making it valuable for various synthetic applications.

In recent years, phenanthrene-based compounds like Ethyl Phenanthrene-9-carboxylate have become a hot topic in drug discovery circles. Researchers are particularly interested in its potential as a building block for fluorescent probes and bioactive molecules. The compound's rigid polycyclic structure contributes to its stability and interesting photophysical properties, which align with current trends in organic electronics and sensor development.

The synthesis of Ethyl Phenanthrene-9-carboxylate typically involves esterification of phenanthrene-9-carboxylic acid with ethanol under acidic conditions. This process has been optimized in recent studies to achieve higher yields and purity, addressing common questions about scale-up challenges in fine chemical production. The compound's crystalline structure and melting point range (typically 110-112°C) make it suitable for precise formulation work in specialty chemical applications.

From an industrial perspective, CAS 4895-92-5 has found niche applications in advanced material research. Its conjugated aromatic system makes it a candidate for studying charge transport properties in organic semiconductors—a rapidly growing field driven by demand for flexible electronics. Additionally, the compound's fluorescence characteristics have sparked interest in optical material development, particularly for luminescent markers in biological imaging.

Quality control of Ethyl Phenanthrene-9-carboxylate is crucial for research applications. Analytical methods such as HPLC purity testing and spectroscopic characterization (including NMR and mass spectrometry) are routinely employed to verify the compound's identity and purity. These quality assurance measures respond to the growing market demand for high-purity research chemicals with well-documented specifications.

Environmental and safety considerations for 4895-92-5 follow standard laboratory chemical protocols. While not classified as hazardous under normal handling conditions, proper chemical storage practices in amber glass containers at controlled temperatures help maintain stability. This aligns with current industry focus on sustainable chemical management and green chemistry principles in research settings.

The commercial availability of Ethyl Phenanthrene-9-carboxylate has expanded significantly to meet research demand. Suppliers now offer various packaging options from milligram-scale research samples to kilogram quantities for developmental work. Pricing trends reflect the compound's position as a specialty intermediate, with costs influenced by purity grades and batch customization options.

Future research directions for phenanthrene carboxylate derivatives may explore their potential in energy storage materials and photocatalysis—two areas receiving substantial funding in materials science. The compound's structural features make it a promising candidate for studying molecular stacking interactions relevant to organic photovoltaic development.

For researchers working with CAS 4895-92-5, recent literature highlights innovative applications in supramolecular chemistry. The compound's ability to participate in π-π interactions has been utilized in designing novel host-guest systems. These developments address the growing scientific interest in molecular recognition technologies for sensor applications.

In summary, Ethyl Phenanthrene-9-carboxylate represents an important aromatic ester compound with diverse scientific applications. Its combination of structural rigidity and functional versatility continues to inspire research across multiple disciplines, from medicinal chemistry to advanced materials engineering. As synthetic methodologies improve and new applications emerge, this compound is likely to maintain its relevance in cutting-edge chemical research.

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