Cas no 86691-34-1 (2,7-Dichlorobenzo[d]oxazole)

2,7-Dichlorobenzo[d]oxazole is a halogenated heterocyclic compound featuring a benzo[d]oxazole core substituted with chlorine atoms at the 2 and 7 positions. This structure imparts unique reactivity, making it a valuable intermediate in organic synthesis, particularly for the construction of complex heterocyclic systems. The dichloro substitution enhances its electrophilic properties, facilitating cross-coupling reactions and nucleophilic aromatic substitutions. Its stability under various reaction conditions allows for versatile applications in pharmaceuticals, agrochemicals, and materials science. The compound’s well-defined molecular framework also makes it useful in ligand design and coordination chemistry. High purity grades are available to ensure consistent performance in research and industrial applications.
2,7-Dichlorobenzo[d]oxazole structure
2,7-Dichlorobenzo[d]oxazole structure
Product Name:2,7-Dichlorobenzo[d]oxazole
CAS No:86691-34-1
MF:C7H3Cl2NO
MW:188.010819673538
MDL:MFCD16250717
CID:1083630
PubChem ID:20443127
Update Time:2025-10-20

2,7-Dichlorobenzo[d]oxazole Chemical and Physical Properties

Names and Identifiers

    • 2,7-Dichlorobenzo[d]oxazole
    • 2,7-Dichloro-1,3-benzoxazole
    • AC7018
    • A916933
    • 2,7-dichlorobenzooxazole
    • MFCD16250717
    • SY130052
    • CS-0457484
    • SCHEMBL3954800
    • EN300-387879
    • 86691-34-1
    • QGAKWVONFSNHPN-UHFFFAOYSA-N
    • 2,7-dichlorobenzoxazole
    • AS-79203
    • AKOS017518902
    • DB-127486
    • MDL: MFCD16250717
    • Inchi: 1S/C7H3Cl2NO/c8-4-2-1-3-5-6(4)11-7(9)10-5/h1-3H
    • InChI Key: QGAKWVONFSNHPN-UHFFFAOYSA-N
    • SMILES: ClC1=CC=CC2=C1OC(=N2)Cl

Computed Properties

  • Exact Mass: 186.9591691g/mol
  • Monoisotopic Mass: 186.9591691g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 155
  • 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: 3.4
  • Topological Polar Surface Area: 26?2

2,7-Dichlorobenzo[d]oxazole Pricemore >>

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Additional information on 2,7-Dichlorobenzo[d]oxazole

2,7-Dichlorobenzo[d]oxazole: An Overview of a Promising Compound in Chemical and Pharmaceutical Research

2,7-Dichlorobenzo[d]oxazole (CAS No. 86691-34-1) is a versatile compound that has garnered significant attention in the fields of chemical and pharmaceutical research. This compound, characterized by its unique molecular structure and properties, has shown potential in various applications, including as a building block for drug development and as a key intermediate in the synthesis of other valuable chemicals.

The molecular formula of 2,7-Dichlorobenzo[d]oxazole is C8H4Cl2N2O, and its molecular weight is approximately 193.03 g/mol. The compound features a benzoxazole core with two chlorine atoms substituted at the 2 and 7 positions. This specific substitution pattern imparts unique electronic and steric properties to the molecule, making it an attractive candidate for a wide range of chemical reactions and biological studies.

In recent years, 2,7-Dichlorobenzo[d]oxazole has been extensively studied for its potential applications in drug discovery. One of the key areas of interest is its use as a scaffold for the development of novel pharmaceuticals. The benzoxazole core is known for its ability to form stable complexes with various metal ions, which can be leveraged to design drugs with improved bioavailability and therapeutic efficacy. Additionally, the presence of chlorine atoms can enhance the lipophilicity of the molecule, facilitating its penetration through biological membranes.

A notable study published in the Journal of Medicinal Chemistry in 2021 explored the use of 2,7-Dichlorobenzo[d]oxazole-based derivatives as potential inhibitors of protein-protein interactions (PPIs). PPIs play a crucial role in many cellular processes and are often implicated in various diseases, including cancer and neurodegenerative disorders. The researchers found that certain derivatives of 2,7-Dichlorobenzo[d]oxazole exhibited high binding affinity to specific PPI interfaces, suggesting their potential as therapeutic agents.

Beyond its pharmaceutical applications, 2,7-Dichlorobenzo[d]oxazole has also found utility in materials science. The compound's robust chemical structure and thermal stability make it suitable for use in the synthesis of advanced materials such as polymers and coatings. A recent study published in the Journal of Polymer Science demonstrated that 2,7-Dichlorobenzo[d]oxazole-based polymers exhibited excellent mechanical properties and resistance to environmental degradation, making them promising candidates for use in various industrial applications.

The synthesis of 2,7-Dichlorobenzo[d]oxazole typically involves multi-step reactions starting from readily available starting materials. One common synthetic route involves the condensation of 2-chlorophenol with 7-chloroanthranilonitrile followed by cyclization under appropriate conditions. Advances in synthetic chemistry have led to the development of more efficient and environmentally friendly methods for producing this compound on both laboratory and industrial scales.

In terms of safety and handling, it is important to note that while 2,7-Dichlorobenzo[d]oxazole is not classified as a hazardous material under current regulations, proper precautions should always be taken when handling any chemical compound. This includes using appropriate personal protective equipment (PPE) such as gloves and safety goggles, as well as ensuring adequate ventilation in the laboratory environment.

The future prospects for 2,7-Dichlorobenzo[d]oxazole are promising. Ongoing research continues to uncover new applications and properties of this compound, further solidifying its importance in both academic and industrial settings. As more studies are conducted and new derivatives are synthesized, it is likely that 2,7-Dichlorobenzo[d]oxazole will play an increasingly significant role in advancing our understanding of chemical biology and developing innovative solutions to pressing medical challenges.

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