Cas no 72571-06-3 (5-(4-Bromophenyl)-1,3-oxazole)

5-(4-Bromophenyl)-1,3-oxazole structure
5-(4-Bromophenyl)-1,3-oxazole structure
Product Name:5-(4-Bromophenyl)-1,3-oxazole
CAS No:72571-06-3
MF:C9H6BrNO
MW:224.054041385651
MDL:MFCD02682015
CID:562057
PubChem ID:2776418
Update Time:2025-07-18

5-(4-Bromophenyl)-1,3-oxazole Chemical and Physical Properties

Names and Identifiers

    • 5-(4-Bromophenyl)oxazole
    • 5-(4-BROMOPHENYL)-1,3-OXAZOLE
    • Oxazole,5-(4-bromophenyl)-
    • Oxazole, 5-(4-bromophenyl)-
    • MLS000763519
    • 5-(4-bromo-phenyl)-oxazole
    • FEBCQOHEPVLTLY-UHFFFAOYSA-N
    • HMS2721E13
    • SBB096586
    • KM1489
    • TRA0005726
    • RP05327
    • ZB007069
    • SY003400
    • SMR000336862
    • Y9922
    • A9435
    • 5-(4-bromophenyl)-1,3-oxazole, Ald
    • FT-0619635
    • DTXSID10380062
    • MFCD02682015
    • XCA57106
    • CS-0187063
    • 72571-06-3
    • s10968
    • SCHEMBL102644
    • J-516214
    • 11X-0800
    • AMY31399
    • CHEMBL1401054
    • AKOS005069534
    • 5-(4-bromophenyl)-1,3-oxazole, AldrichCPR
    • 5-(4-Bromophenyl)-1,3-oxazole
    • MDL: MFCD02682015
    • Inchi: 1S/C9H6BrNO/c10-8-3-1-7(2-4-8)9-5-11-6-12-9/h1-6H
    • InChI Key: FEBCQOHEPVLTLY-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(=CC=1)C1=CN=CO1

Computed Properties

  • Exact Mass: 222.96300
  • Monoisotopic Mass: 222.963
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 146
  • 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
  • Topological Polar Surface Area: 26
  • XLogP3: 2.7

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.2±0.1 g/cm3
  • Melting Point: 78-80°C
  • Boiling Point: 315.8 ℃ at 760 mmHg
  • Flash Point: 144.8℃
  • Refractive Index: 1.58
  • PSA: 26.03000
  • LogP: 3.10410
  • Vapor Pressure: 1.3±0.3 mmHg at 25°C

5-(4-Bromophenyl)-1,3-oxazole Security Information

5-(4-Bromophenyl)-1,3-oxazole Customs Data

  • HS CODE:2934999090
  • Customs Data:

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Additional information on 5-(4-Bromophenyl)-1,3-oxazole

Recent Advances in the Study of 5-(4-Bromophenyl)-1,3-oxazole (CAS: 72571-06-3) in Chemical Biology and Pharmaceutical Research

The compound 5-(4-Bromophenyl)-1,3-oxazole (CAS: 72571-06-3) has garnered significant attention in recent years due to its versatile applications in chemical biology and pharmaceutical research. This heterocyclic compound, characterized by the presence of an oxazole ring and a bromophenyl substituent, has been explored for its potential in drug discovery, particularly as a scaffold for designing novel therapeutic agents. Recent studies have highlighted its role in modulating various biological targets, including enzymes and receptors, making it a promising candidate for further investigation.

One of the key areas of interest is the compound's ability to serve as a building block in the synthesis of more complex molecules. Researchers have utilized 5-(4-Bromophenyl)-1,3-oxazole as a precursor in the development of inhibitors targeting protein kinases, which are critical in numerous signaling pathways associated with diseases such as cancer and inflammatory disorders. The bromophenyl moiety provides a handle for further functionalization, enabling the introduction of diverse pharmacophores to enhance binding affinity and selectivity.

In a recent study published in the Journal of Medicinal Chemistry, a team of researchers demonstrated the efficacy of 5-(4-Bromophenyl)-1,3-oxazole derivatives as potent inhibitors of the epidermal growth factor receptor (EGFR). The study employed structure-activity relationship (SAR) analysis to optimize the compound's interactions with the ATP-binding site of EGFR, resulting in derivatives with improved inhibitory activity and reduced off-target effects. These findings underscore the potential of 5-(4-Bromophenyl)-1,3-oxazole as a valuable scaffold for developing targeted therapies.

Another notable application of this compound lies in its use as a fluorescent probe. Due to the inherent photophysical properties of the oxazole ring, 5-(4-Bromophenyl)-1,3-oxazole has been employed in the design of sensors for detecting biomolecules such as reactive oxygen species (ROS) and metal ions. A study in Analytical Chemistry reported the development of a turn-on fluorescent probe based on this compound, which exhibited high sensitivity and selectivity for hydrogen peroxide, a key ROS involved in oxidative stress-related pathologies.

Beyond its applications in drug discovery and sensing, 5-(4-Bromophenyl)-1,3-oxazole has also been investigated for its role in materials science. The compound's rigid structure and ability to form π-π stacking interactions make it a suitable candidate for designing organic semiconductors and luminescent materials. Recent work in Advanced Materials showcased the incorporation of this oxazole derivative into conjugated polymers, resulting in materials with enhanced charge transport properties and tunable emission spectra.

Despite these advancements, challenges remain in the synthesis and scalability of 5-(4-Bromophenyl)-1,3-oxazole-based compounds. Researchers are actively exploring greener synthetic routes, such as catalytic C-H activation and microwave-assisted reactions, to improve yields and reduce environmental impact. Additionally, the need for comprehensive toxicological studies to assess the safety profile of these derivatives is paramount for their translation into clinical applications.

In conclusion, 5-(4-Bromophenyl)-1,3-oxazole (CAS: 72571-06-3) represents a multifaceted compound with broad utility in chemical biology and pharmaceutical research. Its applications span from drug discovery and biosensing to materials science, highlighting its versatility as a molecular scaffold. Ongoing research efforts are expected to further elucidate its potential and address existing challenges, paving the way for innovative therapeutic and technological solutions.

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