Cas no 108059-85-4 (2-(2-ethylbenzoyl)benzoic Acid)

2-(2-Ethylbenzoyl)benzoic acid is a versatile organic compound primarily used as an intermediate in the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals. Its structure, featuring both a benzoic acid and an ethyl-substituted benzoyl group, makes it valuable for constructing complex molecules through further functionalization. The compound exhibits good stability under standard conditions and demonstrates compatibility with various reaction conditions, including esterification and amidation. Its well-defined aromatic system allows for precise modifications, enabling tailored applications in drug development and material science. The product is typically supplied in high purity, ensuring reliable performance in synthetic processes. Proper handling and storage are recommended to maintain its integrity.
2-(2-ethylbenzoyl)benzoic Acid structure
108059-85-4 structure
Product Name:2-(2-ethylbenzoyl)benzoic Acid
CAS No:108059-85-4
MF:C16H14O3
MW:254.280564785004
CID:1184832
PubChem ID:13803957
Update Time:2025-11-06

2-(2-ethylbenzoyl)benzoic Acid Chemical and Physical Properties

Names and Identifiers

    • 2-(2-ethylbenzoyl)benzoic Acid
    • 2(ethylbenzoyl)benzoic acid
    • 2-(2-Ethylbenzoyl)benzoesaeure
    • ACMC-20mbaw
    • SureCN3953764
    • Benzoic acid, 2-(2-ethylbenzoyl)-
    • ethyl-benzoyl-benzoic acid
    • CTK0D6444
    • 2-(2'-ethylbenzoyl)benzoic acid
    • Benzoic acid, 2-(ethylbenzoyl)-
    • AGN-PC-00O26P
    • 2(ethylbenzoyl)benzoic acid; 2-(2-Ethylbenzoyl)benzoesaeure; ACMC-20mbaw; SureCN3953764; Benzoic acid, 2-(2-ethylbenzoyl)-; ethyl-benzoyl-benzoic acid; CTK0D6444; 2-(2'-ethylbenzoyl)benzoic acid; Benzoic acid, 2-(ethylbenzoyl)-; AGN-PC-00O26P;
    • DTXSID70549971
    • 2-(2-Ethylbenzoyl)benzoicacid
    • 2-(2-Ethyl-benzoyl)-benzoic acid
    • 108059-85-4
    • SCHEMBL3953764
    • MDL: MFCD07776024
    • Inchi: 1S/C16H14O3/c1-2-11-7-3-4-8-12(11)15(17)13-9-5-6-10-14(13)16(18)19/h3-10H,2H2,1H3,(H,18,19)
    • InChI Key: RUHXNAPMZZTSIO-UHFFFAOYSA-N
    • SMILES: O=C(C1C=CC=CC=1C(=O)O)C1C=CC=CC=1CC

Computed Properties

  • Exact Mass: 254.094294304g/mol
  • Monoisotopic Mass: 254.094294304g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • Complexity: 337
  • 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: 3.6
  • Topological Polar Surface Area: 54.4?2

2-(2-ethylbenzoyl)benzoic Acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1787327-1g
2-(2-Ethylbenzoyl)benzoic acid
108059-85-4 97%
1g
¥5008.00 2024-08-09

Additional information on 2-(2-ethylbenzoyl)benzoic Acid

Professional Introduction to 2-(2-ethylbenzoyl)benzoic Acid (CAS No: 108059-85-4)

2-(2-ethylbenzoyl)benzoic Acid, identified by its Chemical Abstracts Service (CAS) number 108059-85-4, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical chemistry and materials science. This compound, featuring a benzoyl group substituted at the 2-position of an ethylbenzene moiety, exhibits unique structural and functional properties that make it a valuable intermediate in synthetic chemistry and a potential candidate for various applications.

The molecular structure of 2-(2-ethylbenzoyl)benzoic Acid consists of two benzene rings connected through a carbonyl bridge. The presence of the ethyl substituent at the para position relative to the benzoyl group introduces steric and electronic effects that influence its reactivity and interaction with biological systems. This structural feature has been exploited in the development of novel compounds with enhanced pharmacological profiles.

In recent years, 2-(2-ethylbenzoyl)benzoic Acid has been studied for its potential applications in drug discovery and development. Its ability to act as a versatile building block in organic synthesis has made it a popular choice for chemists seeking to create complex molecular architectures. The compound's dual functionality, arising from the combination of the benzoyl and benzoic acid moieties, allows for diverse chemical modifications, enabling the design of molecules with tailored biological activities.

One of the most promising areas of research involving 2-(2-ethylbenzoyl)benzoic Acid is its role as a precursor in the synthesis of bioactive molecules. Studies have demonstrated its utility in constructing derivatives with anti-inflammatory, antimicrobial, and anticancer properties. The benzoyl group, known for its ability to enhance drug solubility and bioavailability, plays a crucial role in these applications. Furthermore, the benzoic acid moiety contributes to the compound's ability to interact with biological targets, making it an attractive scaffold for medicinal chemistry.

The pharmacological potential of 2-(2-ethylbenzoyl)benzoic Acid has been further explored through computational modeling and experimental validation. Researchers have utilized advanced computational techniques to predict how this compound might interact with specific enzymes and receptors. These studies have revealed that derivatives of 2-(2-ethylbenzoyl)benzoic Acid could potentially modulate key signaling pathways involved in various diseases.

In addition to its pharmaceutical applications, 2-(2-ethylbenzoyl)benzoic Acid has shown promise in materials science. Its unique structural properties make it suitable for use as a ligand in coordination chemistry, where it can facilitate the formation of metal complexes with applications in catalysis and sensing. The compound's ability to chelate metal ions has also been explored in the development of new materials with enhanced stability and functionality.

The synthesis of 2-(2-ethylbenzoyl)benzoic Acid typically involves multi-step organic reactions, including Friedel-Crafts acylation followed by hydrolysis or oxidation steps. Advances in synthetic methodologies have enabled more efficient and scalable production processes, making this compound more accessible for research and industrial applications. The development of greener synthetic routes has also been a focus area, ensuring that the production of 2-(2-ethylbenzoyl)benzoic Acid aligns with environmental sustainability goals.

The safety profile of 2-(2-ethylbenzoyl)benzoic Acid is another critical aspect that has been thoroughly investigated. Extensive toxicological studies have been conducted to assess its potential effects on human health and the environment. These studies have shown that when handled properly, 2-(2-ethylbenzoyl)benzoic Acid exhibits low toxicity and minimal environmental impact. However, as with any chemical compound, appropriate safety measures should be taken during handling and storage to ensure safe usage.

The future prospects for 2-(2-ethylbenzoyl)benzoic Acid are promising, with ongoing research aimed at uncovering new applications and improving existing ones. Collaborative efforts between academia and industry are expected to drive innovation in this field, leading to the development of novel compounds based on this versatile scaffold. As our understanding of molecular interactions continues to grow, so too will the potential uses for 2-(2-ethylbenzoyl)benzoic Acid.

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