Cas no 20316-12-5 (Benzaanthracene-7-acetic Acid)

Benzaanthracene-7-acetic Acid is a polycyclic aromatic hydrocarbon derivative with a carboxylic acid functional group, making it a valuable intermediate in organic synthesis and pharmaceutical research. Its rigid, conjugated structure lends itself to applications in fluorescence studies and as a building block for more complex aromatic compounds. The acetic acid moiety enhances solubility in polar solvents, facilitating reactions in aqueous or mixed-phase systems. This compound is particularly useful in the development of dyes, sensors, and bioactive molecules due to its electronic properties and reactivity. High purity grades ensure consistent performance in research and industrial applications. Proper handling is advised due to potential sensitivity to light and oxidation.
Benzaanthracene-7-acetic Acid structure
Benzaanthracene-7-acetic Acid structure
Product Name:Benzaanthracene-7-acetic Acid
CAS No:20316-12-5
MF:C20H14O2
MW:286.323965549469
CID:1062634
Update Time:2025-10-31

Benzaanthracene-7-acetic Acid Chemical and Physical Properties

Names and Identifiers

    • Benz[a]anthracene-7-acetic Acid
    • 2-benzo[a]anthracen-7-ylacetic acid
    • Benzaanthracene-7-acetic Acid
    • Inchi: 1S/C20H14O2/c21-20(22)12-19-16-8-4-2-6-14(16)11-18-15-7-3-1-5-13(15)9-10-17(18)19/h1-11H,12H2,(H,21,22)
    • InChI Key: MSKUXZMLVIOBEL-UHFFFAOYSA-N
    • SMILES: OC(CC1C2C=CC=CC=2C=C2C3C=CC=CC=3C=CC2=1)=O

Computed Properties

  • Exact Mass: 286.09900

Experimental Properties

  • PSA: 37.30000
  • LogP: 4.77330

Benzaanthracene-7-acetic Acid Customs Data

  • HS CODE:2916399090
  • Customs Data:

    China Customs Code:

    2916399090

    Overview:

    2916399090 Other aromatic monocarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acrylic acid\Acrylates or esters shall be packaged clearly

    Summary:

    2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Benzaanthracene-7-acetic Acid Pricemore >>

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Benzaanthracene-7-acetic Acid Production Method

Additional information on Benzaanthracene-7-acetic Acid

Benzaanthracene-7-acetic Acid (CAS No. 20316-12-5): A Comprehensive Overview in Modern Chemical Biology

Benzaanthracene-7-acetic Acid, identified by the chemical abstracts service number CAS No. 20316-12-5, is a heterocyclic organic compound that has garnered significant attention in the field of chemical biology due to its unique structural and pharmacological properties. This compound, belonging to the benzoanthracene family, exhibits a fused ring system consisting of a benzene ring and two adjacent anthracene rings, with an acetic acid moiety attached at the 7-position. The presence of this acetic acid group introduces a carboxylic acid functionality, which is known to enhance its solubility in polar solvents and its potential for biological interactions.

The structural configuration of Benzaanthracene-7-acetic Acid makes it a versatile scaffold for drug discovery and medicinal chemistry research. The benzoanthracene core is particularly interesting because it mimics the structure of certain natural products and bioactive molecules, which have been extensively studied for their therapeutic potential. In recent years, there has been a surge in research focused on developing novel derivatives of benzoanthracene-based compounds due to their demonstrated efficacy in various biological assays.

One of the most compelling aspects of Benzaanthracene-7-acetic Acid is its potential as an intermediate in the synthesis of more complex pharmacophores. The acetic acid side chain provides a reactive site for further functionalization, allowing chemists to introduce additional substituents that can modulate the biological activity of the molecule. This flexibility has led to the development of several analogs that exhibit enhanced binding affinity and selectivity towards specific biological targets.

Recent studies have highlighted the anti-cancer properties of benzoanthracene derivatives, including Benzaanthracene-7-acetic Acid. Research indicates that these compounds can interfere with critical cellular processes such as DNA replication and apoptosis, making them promising candidates for oncology applications. For instance, certain derivatives have shown inhibitory effects on kinases and other enzymes involved in tumor growth, suggesting their potential as chemotherapeutic agents.

Moreover, the carboxylic acid group in Benzaanthracene-7-acetic Acid allows for salt formation, which can improve the pharmacokinetic properties of derived compounds. Salts can enhance solubility and stability, making them more suitable for formulation into oral or injectable drugs. This property has been exploited in several drug development programs aimed at creating more effective and bioavailable therapeutics.

The synthesis of Benzaanthracene-7-acetic Acid typically involves multi-step organic reactions that build upon the benzoanthracene core and introduce the acetic acid functionality. Common synthetic routes include Friedel-Crafts acylations, Grignard reactions, and palladium-catalyzed cross-coupling techniques. These methods have been refined over time to improve yield and purity, ensuring that researchers have access to high-quality starting materials for their investigations.

In academic research, Benzaanthracene-7-acetic Acid has been employed as a model compound to study molecular interactions at the atomic level. Computational chemistry approaches, such as molecular dynamics simulations and quantum mechanical calculations, have been used to elucidate how this compound binds to biological targets like proteins and nucleic acids. These studies not only provide insights into its mechanism of action but also help in designing more potent derivatives with improved therapeutic profiles.

The pharmaceutical industry has also shown interest in Benzaanthracene-7-acetic Acid as a lead compound for drug development. Its structural features make it an attractive candidate for generating libraries of compounds that can be screened for biological activity. High-throughput screening (HTS) techniques have been used to identify derivatives with promising pharmacological properties, paving the way for new treatments in areas such as inflammation and neurodegenerative diseases.

The safety profile of Benzaanthracene-7-acetic Acid is another critical consideration in its application within chemical biology. While preliminary studies suggest that it is relatively non-toxic at moderate concentrations, further research is needed to fully understand its potential hazards and therapeutic index. Collaborative efforts between synthetic chemists and toxicologists are essential to ensure that derived compounds are both effective and safe for human use.

In conclusion, Benzaanthracene-7-acetic Acid (CAS No. 20316-12-5) represents a valuable asset in modern chemical biology research. Its unique structure offers numerous opportunities for medicinal chemistry innovation, particularly in the development of anti-cancer agents and other therapeutic interventions. As our understanding of its biological activities continues to grow, so too will its importance in advancing drug discovery efforts across academia and industry.

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