Cas no 22091-36-7 (4-(Chloromethyl)-2-(4-chlorophenyl)-1,3-oxazole)

4-(Chloromethyl)-2-(4-chlorophenyl)-1,3-oxazole is a chlorinated oxazole derivative with significant utility in organic synthesis and pharmaceutical intermediates. Its key structural features include a reactive chloromethyl group and a 4-chlorophenyl substituent, enabling further functionalization through nucleophilic substitution or cross-coupling reactions. This compound is particularly valuable in the development of heterocyclic frameworks and bioactive molecules due to its stability and versatility. Its well-defined crystalline form ensures consistent purity, making it suitable for precision applications in medicinal chemistry and material science. The presence of halogen atoms enhances its reactivity, facilitating its use in constructing complex molecular architectures.
4-(Chloromethyl)-2-(4-chlorophenyl)-1,3-oxazole structure
22091-36-7 structure
Product Name:4-(Chloromethyl)-2-(4-chlorophenyl)-1,3-oxazole
CAS No:22091-36-7
MF:C10H7Cl2NO
MW:228.074680566788
MDL:MFCD07687118
CID:276748
PubChem ID:7131527
Update Time:2025-10-28

4-(Chloromethyl)-2-(4-chlorophenyl)-1,3-oxazole Chemical and Physical Properties

Names and Identifiers

    • Oxazole,4-(chloromethyl)-2-(4-chlorophenyl)-
    • 4-(CHLOROMETHYL)-2-(4-CHLOROPHENYL)-1,3-OXAZOLE
    • 2-(4-chlorophenyl)-4-chloromethyl-oxazole
    • 4-(chloromethyl)-2-(4-chlorophenyl)oxazole
    • 4-Chlormethyl-2-(4-chlorphenyl)-oxazol
    • 4-chloromethyl-2-(4-chlorophenyl)oxazole
    • 4-chloromethyl-2-(4-chloro-phenyl)-oxazole
    • AB42096
    • AC1OFLNC
    • AC1Q3U2T
    • chloromethyl-2-(4-chloro-phenyl)-oxazole
    • CTK4E8529
    • SureCN202513
    • AKOS001171791
    • 2-HYDROXY-3-(4-METHOXY-PHENYL)-3-(2-NITRO-PHENYLSULFANYL)-PROPIONICACID
    • 22091-36-7
    • Z125140224
    • NCGC00335362-01
    • 4-chloromethyl-2-(4-chlorophenyl) oxazole
    • MFCD07687118
    • LS-11591
    • AB01328436-02
    • SCHEMBL202513
    • 2-(4-Chloro-phenyl)-4-Chloromethyloxazole
    • BGGPUCCJQGIJRL-UHFFFAOYSA-N
    • DTXSID70427927
    • EN300-15282
    • 4-(Chloromethyl)-2-(4-chlorophenyl)-1,3-oxazole
    • MDL: MFCD07687118
    • Inchi: 1S/C10H7Cl2NO/c11-5-9-6-14-10(13-9)7-1-3-8(12)4-2-7/h1-4,6H,5H2
    • InChI Key: BGGPUCCJQGIJRL-UHFFFAOYSA-N
    • SMILES: ClCC1=COC(C2C=CC(=CC=2)Cl)=N1

Computed Properties

  • Exact Mass: 226.99061
  • Monoisotopic Mass: 226.9904692g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 183
  • 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: 3.1
  • Topological Polar Surface Area: 26?2

Experimental Properties

  • PSA: 26.03

4-(Chloromethyl)-2-(4-chlorophenyl)-1,3-oxazole Pricemore >>

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Additional information on 4-(Chloromethyl)-2-(4-chlorophenyl)-1,3-oxazole

4-(Chloromethyl)-2-(4-chlorophenyl)-1,3-oxazole: A Comprehensive Overview

4-(Chloromethyl)-2-(4-chlorophenyl)-1,3-oxazole (CAS No. 22091-36-7) is a compound of significant interest in the fields of organic chemistry and materials science. This compound is characterized by its unique structure, which combines a chloromethyl group with a chlorophenyl moiety within a 1,3-oxazole ring system. The 1,3-oxazole core is a five-membered heterocyclic ring containing one oxygen and one nitrogen atom, making it a versatile platform for various chemical modifications and applications.

The synthesis of 4-(Chloromethyl)-2-(4-chlorophenyl)-1,3-oxazole involves advanced organic synthesis techniques, often leveraging the reactivity of oxazole rings. Recent studies have explored the use of microwave-assisted synthesis to enhance reaction efficiency and yield. This approach has been particularly effective in constructing the chloromethyl and chlorophenyl substituents on the oxazole ring, ensuring high purity and structural integrity.

One of the most promising applications of this compound lies in its potential as a building block for advanced materials. Researchers have investigated its ability to form self-assembled monolayers (SAMs) on various substrates, which could be utilized in the development of sensors, electronic devices, and drug delivery systems. The chloromethyl group plays a critical role in these applications by providing sites for further functionalization and cross-linking.

In addition to its material science applications, 4-(Chloromethyl)-2-(4-chlorophenyl)-1,3-oxazole has shown potential in medicinal chemistry. Recent studies have demonstrated its ability to modulate enzyme activity through selective inhibition or activation mechanisms. This property makes it a valuable candidate for drug discovery programs targeting diseases such as cancer and neurodegenerative disorders.

The environmental impact of this compound has also been a focus of recent research. Studies have shown that under certain conditions, 4-(Chloromethyl)-2-(4-chlorophenyl)-1,3-oxazole undergoes biodegradation via microbial action. This finding is crucial for assessing its safety profile and ensuring sustainable practices in its production and use.

Looking ahead, the development of novel synthetic routes for 4-(Chloromethyl)-2-(4-chlorophenyl)-1,3-oxazole remains an active area of research. Scientists are exploring green chemistry approaches to minimize waste and reduce energy consumption during synthesis. These efforts are expected to further enhance the compound's accessibility and applicability across various industries.

In conclusion, 4-(Chloromethyl)-2-(4-chlorophenyl)-1,3-oxazole (CAS No. 22091-36-7) stands as a testament to the versatility of heterocyclic compounds in modern chemistry. Its unique structure, combined with recent advancements in synthesis and application development, positions it as a key player in both academic research and industrial innovation.

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