Cas no 3164-07-6 (4-(Benzo[d]oxazol-2-yl)-2-methoxyphenol)

4-(Benzo[d]oxazol-2-yl)-2-methoxyphenol is a heterocyclic phenolic compound featuring a benzoxazole core linked to a methoxyphenol moiety. This structure imparts unique photophysical and chemical properties, making it valuable in applications such as organic synthesis, fluorescence-based sensing, and material science. The compound exhibits strong electron-donating and -accepting capabilities due to its conjugated system, enhancing its utility in optoelectronic materials. Its methoxy and hydroxyl groups provide sites for further functionalization, enabling tailored modifications for specific research or industrial needs. The benzoxazole component contributes to stability and rigidity, ensuring consistent performance in demanding environments. This compound is particularly suited for advanced studies in luminescent materials and molecular probes.
4-(Benzo[d]oxazol-2-yl)-2-methoxyphenol structure
3164-07-6 structure
Product Name:4-(Benzo[d]oxazol-2-yl)-2-methoxyphenol
CAS No:3164-07-6
MF:C14H11NO3
MW:241.242043733597
CID:1033286
PubChem ID:135530812
Update Time:2025-06-08

4-(Benzo[d]oxazol-2-yl)-2-methoxyphenol Chemical and Physical Properties

Names and Identifiers

    • 4-(Benzo[d]oxazol-2-yl)-2-methoxyphenol
    • 2-(4'-amino-3'-bromophenyl)benzothiazole
    • 2-(4-amino-3-bromophenyl)benzothiazole
    • 2-(4'-hydroxy-3'-methoxyphenyl)benzothiazole
    • 2-(4-Hydroxy-3-methoxy-phenyl)-benzoxazol
    • 4-(1,3-benzothiazole-2-yl)-2-bromoaniline
    • 4-benzooxazol-2-yl-2-methoxy-phenol
    • 4-benzoxazol-2-yl-2-methoxy-phenol
    • AC1L8UWE
    • AG-E-28947
    • CHEMBL12169
    • CTK4D6900
    • NSC682301
    • SureCN1978135
    • SCHEMBL1347677
    • 3164-07-6
    • AKOS016010715
    • A849451
    • 4-(1,3-benzoxazol-2-yl)-2-methoxyphenol
    • BNFIODXJQODWOA-UHFFFAOYSA-N
    • MDL: MFCD07618690
    • Inchi: 1S/C14H11NO3/c1-17-13-8-9(6-7-11(13)16)14-15-10-4-2-3-5-12(10)18-14/h2-8,16H,1H3
    • InChI Key: BNFIODXJQODWOA-UHFFFAOYSA-N
    • SMILES: O1C2C=CC=CC=2N=C1C1C=CC(=C(C=1)OC)O

Computed Properties

  • Exact Mass: 241.07393
  • Monoisotopic Mass: 241.07389321g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • 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: 3
  • Topological Polar Surface Area: 55.5?2

Experimental Properties

  • Boiling Point: 387.653°C at 760 mmHg
  • PSA: 55.49

4-(Benzo[d]oxazol-2-yl)-2-methoxyphenol Security Information

4-(Benzo[d]oxazol-2-yl)-2-methoxyphenol Pricemore >>

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Additional information on 4-(Benzo[d]oxazol-2-yl)-2-methoxyphenol

Comprehensive Overview of 4-(Benzo[d]oxazol-2-yl)-2-methoxyphenol (CAS No. 3164-07-6): Properties, Applications, and Industry Insights

4-(Benzo[d]oxazol-2-yl)-2-methoxyphenol (CAS No. 3164-07-6) is a specialized organic compound that has garnered significant attention in pharmaceutical and material science research. This heterocyclic phenol derivative features a benzoxazole core linked to a methoxyphenol group, making it a versatile building block for advanced applications. With the growing demand for high-performance organic materials and bioactive molecules, this compound has become a subject of intense study in both academic and industrial settings.

The unique molecular structure of 4-(Benzo[d]oxazol-2-yl)-2-methoxyphenol contributes to its interesting photophysical properties. Researchers have explored its potential as a fluorescent probe in biological imaging, leveraging the benzoxazole moiety's inherent luminescence characteristics. Recent studies published in journals like Journal of Materials Chemistry C highlight its utility in optoelectronic applications, particularly in the development of organic light-emitting diodes (OLEDs) and sensors.

In pharmaceutical research, the CAS 3164-07-6 compound has shown promise as a scaffold for drug development. Its phenolic hydroxyl group and methoxy substituent provide multiple sites for structural modification, enabling the creation of derivatives with tailored biological activities. A 2023 study in European Journal of Medicinal Chemistry demonstrated that analogs of this compound exhibit notable antioxidant and anti-inflammatory properties, sparking interest in potential therapeutic applications.

The synthesis of 4-(Benzo[d]oxazol-2-yl)-2-methoxyphenol typically involves condensation reactions between appropriately substituted phenolic compounds and 2-aminophenol derivatives. Modern synthetic approaches emphasize green chemistry principles, with researchers developing more efficient catalytic systems and solvent-free conditions to improve the atom economy and reduce environmental impact. These advancements align with the chemical industry's growing focus on sustainable synthesis methods.

Analytical characterization of this compound employs advanced techniques including nuclear magnetic resonance (NMR) spectroscopy, high-resolution mass spectrometry (HRMS), and X-ray crystallography. The crystalline structure reveals interesting intermolecular interactions, particularly hydrogen bonding involving the phenolic OH group, which influences the compound's physical properties and potential applications in crystal engineering.

From a commercial perspective, CAS 3164-07-6 has seen growing demand in specialty chemical markets. Suppliers typically offer this compound with high purity (>98%) for research purposes, with prices varying based on quantity and purity specifications. The global market for benzoxazole derivatives is projected to expand significantly, driven by their applications in advanced materials and life sciences.

Recent innovations have explored the incorporation of 4-(Benzo[d]oxazol-2-yl)-2-methoxyphenol into polymeric systems. Researchers have successfully copolymerized derivatives of this compound to create materials with enhanced thermal stability and optical properties. These developments are particularly relevant to industries seeking high-performance polymers for demanding applications in electronics and coatings.

Safety considerations for handling this compound follow standard laboratory protocols for organic chemicals. While not classified as hazardous under current regulations, proper personal protective equipment (PPE) including gloves and safety glasses is recommended when working with the substance. Material safety data sheets (MSDS) provide detailed guidance on storage conditions (typically room temperature in a dry environment) and handling procedures.

The future research directions for 4-(Benzo[d]oxazol-2-yl)-2-methoxyphenol appear promising. Emerging studies focus on its potential in energy storage systems, particularly as a component in redox-active materials for batteries. Additionally, its photocatalytic properties are being investigated for environmental applications such as water purification technologies. These diverse research avenues underscore the compound's versatility and potential for cross-disciplinary innovation.

For researchers and industry professionals seeking detailed technical information about CAS 3164-07-6, comprehensive resources are available through scientific databases like SciFinder and Reaxys. These platforms provide access to synthetic procedures, physical property data, and literature references that can support further investigation and application development of this intriguing compound.

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