Cas no 13618-49-0 (Benzoic acid, 4-methoxy-2-(phenylmethoxy)-)

Benzoic acid, 4-methoxy-2-(phenylmethoxy)-, is a substituted benzoic acid derivative featuring both methoxy and benzyloxy functional groups. This compound is of interest in organic synthesis and pharmaceutical research due to its versatile reactivity, particularly as an intermediate in the preparation of more complex molecules. The presence of electron-donating methoxy and benzyloxy groups enhances its utility in electrophilic aromatic substitution and other functionalization reactions. Its well-defined structure and stability make it suitable for applications in medicinal chemistry, where it may serve as a building block for bioactive compounds. The compound is typically characterized by standard analytical techniques, including NMR and HPLC, ensuring high purity for research use.
Benzoic acid, 4-methoxy-2-(phenylmethoxy)- structure
13618-49-0 structure
Product Name:Benzoic acid, 4-methoxy-2-(phenylmethoxy)-
CAS No:13618-49-0
MF:C15H14O4
MW:258.269264698029
MDL:MFCD09719635
CID:1239882
PubChem ID:13026915
Update Time:2025-11-05

Benzoic acid, 4-methoxy-2-(phenylmethoxy)- Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 4-methoxy-2-(phenylmethoxy)-
    • 2-(Benzyloxy)-4-methoxybenzoic acid
    • 4-methoxy-2-phenylmethoxybenzoic acid
    • A1-05435
    • DTXSID50515593
    • CS-0196008
    • SCHEMBL6404086
    • MFCD09719635
    • E90222
    • 13618-49-0
    • AKOS008971026
    • MDL: MFCD09719635
    • Inchi: 1S/C15H14O4/c1-18-12-7-8-13(15(16)17)14(9-12)19-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,16,17)
    • InChI Key: RAAOREOMEWSXBK-UHFFFAOYSA-N
    • SMILES: O(CC1C=CC=CC=1)C1C=C(C=CC=1C(=O)O)OC

Computed Properties

  • Exact Mass: 258.08920892g/mol
  • Monoisotopic Mass: 258.08920892g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 5
  • Complexity: 286
  • 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: 2.9
  • Topological Polar Surface Area: 55.8?2

Benzoic acid, 4-methoxy-2-(phenylmethoxy)- Pricemore >>

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Additional information on Benzoic acid, 4-methoxy-2-(phenylmethoxy)-

Benzoic acid, 4-methoxy-2-(phenylmethoxy)- (CAS No. 13618-49-0): A Comprehensive Overview

Benzoic acid, 4-methoxy-2-(phenylmethoxy)-, identified by its Chemical Abstracts Service (CAS) number CAS No. 13618-49-0, is a sophisticated organic compound with a rich history in pharmaceutical and chemical research. This compound, characterized by its methoxy and phenylmethoxy substituents, has garnered significant attention due to its versatile applications and potential in various scientific domains.

The molecular structure of Benzoic acid, 4-methoxy-2-(phenylmethoxy)- consists of a benzoic acid core appended with two functional groups: a methoxy group at the 4-position and a phenylmethoxy group at the 2-position. This unique arrangement imparts distinct chemical properties that make it a valuable intermediate in synthetic chemistry and a promising candidate for drug development.

In recent years, the pharmaceutical industry has shown increasing interest in derivatives of benzoic acid due to their potential bioactivity. Specifically, compounds with methoxy and phenylmethoxy substituents have been explored for their antimicrobial, anti-inflammatory, and antioxidant properties. The presence of these functional groups enhances the compound's ability to interact with biological targets, making it an attractive scaffold for medicinal chemists.

One of the most compelling aspects of Benzoic acid, 4-methoxy-2-(phenylmethoxy)- is its role in the synthesis of more complex molecules. Researchers have leveraged this compound as a building block to create novel pharmacophores with enhanced efficacy and reduced side effects. For instance, studies have demonstrated its utility in the development of nonsteroidal anti-inflammatory drugs (NSAIDs) and kinase inhibitors, which are critical in treating chronic inflammatory diseases and cancer.

The synthesis of Benzoic acid, 4-methoxy-2-(phenylmethoxy)- involves multi-step organic reactions that highlight the ingenuity of modern synthetic chemistry. Advanced techniques such as palladium-catalyzed cross-coupling reactions have been employed to introduce the methoxy and phenylmethoxy groups with high precision. These methods not only improve yield but also minimize unwanted byproducts, ensuring a cleaner and more sustainable synthetic pathway.

The pharmacological properties of this compound have been extensively studied in preclinical models. Preliminary research suggests that it exhibits potent inhibitory effects on certain enzymes and receptors implicated in various diseases. For example, its ability to modulate the activity of cyclooxygenase (COX) enzymes may contribute to its potential as an anti-inflammatory agent. Additionally, its interaction with other biological targets has been investigated for possible applications in neurodegenerative disorders.

The environmental impact of synthesizing and utilizing Benzoic acid, 4-methoxy-2-(phenylmethoxy)- is also a subject of interest. Efforts are being made to develop greener synthetic routes that reduce waste and energy consumption. These initiatives align with the broader goal of sustainable chemistry, which aims to minimize the ecological footprint of chemical production while maintaining or enhancing efficiency.

In conclusion, Benzoic acid, 4-methoxy-2-(phenylmethoxy)- (CAS No. 13618-49-0) represents a fascinating compound with significant potential in pharmaceutical research and development. Its unique structural features and diverse applications make it a valuable asset for scientists working on innovative drug therapies. As research continues to uncover new ways to harness its properties, this compound is poised to play an increasingly important role in addressing some of the most pressing challenges in medicine.

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