Cas no 41318-73-4 (BENZENE, 1-BROMO-3,5-DIPHENOXY-)

Benzene, 1-bromo-3,5-diphenoxy-, is a brominated aromatic compound characterized by its distinct molecular structure featuring a central benzene ring substituted with a bromine atom and two phenoxy groups at the 1, 3, and 5 positions, respectively. This configuration imparts unique reactivity, making it a valuable intermediate in organic synthesis, particularly for constructing complex aromatic systems or serving as a precursor for further functionalization. The presence of both bromine and phenoxy groups enhances its utility in cross-coupling reactions, such as Suzuki or Buchwald-Hartwig couplings, enabling precise modifications for pharmaceutical or materials science applications. Its stability under standard conditions ensures consistent handling and storage.
BENZENE, 1-BROMO-3,5-DIPHENOXY- structure
41318-73-4 structure
Product Name:BENZENE, 1-BROMO-3,5-DIPHENOXY-
CAS No:41318-73-4
MF:C18H13BrO2
MW:341.198624372482
MDL:MFCD31561328
CID:3373185
PubChem ID:85820187
Update Time:2025-06-12

BENZENE, 1-BROMO-3,5-DIPHENOXY- Chemical and Physical Properties

Names and Identifiers

    • BENZENE, 1-BROMO-3,5-DIPHENOXY-
    • 1-Bromo-3,5-diphenoxybenzene
    • MFCD31561328
    • SCHEMBL16890030
    • E75417
    • BS-46634
    • CS-0193666
    • ((5-bromo-1,3-phenylene)bis(oxy))dibenzene
    • YYFFCVUNTHMFNE-UHFFFAOYSA-N
    • 41318-73-4
    • MDL： MFCD31561328
    • Inchi： 1S/C18H13BrO2/c19-14-11-17(20-15-7-3-1-4-8-15)13-18(12-14)21-16-9-5-2-6-10-16/h1-13H
    • InChI Key： YYFFCVUNTHMFNE-UHFFFAOYSA-N
    • SMILES： BrC1C=C(C=C(C=1)OC1C=CC=CC=1)OC1C=CC=CC=1

Computed Properties

  • Exact Mass: 340.00989g/mol
  • Monoisotopic Mass: 340.00989g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 4
  • Complexity: 270
  • 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: 6.4
  • Topological Polar Surface Area: 18.5?2

BENZENE, 1-BROMO-3,5-DIPHENOXY- Pricemore >>

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BENZENE, 1-BROMO-3,5-DIPHENOXY- Suppliers

Amadis Chemical Company Limited
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(CAS:41318-73-4)BENZENE, 1-BROMO-3,5-DIPHENOXY-
Order Number:A929890
Stock Status:in Stock
Quantity:5g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 14:59
Price ($):332.0

BENZENE, 1-BROMO-3,5-DIPHENOXY- Related Literature

Additional information on BENZENE, 1-BROMO-3,5-DIPHENOXY-

Recent Advances in the Study of BENZENE, 1-BROMO-3,5-DIPHENOXY- (CAS: 41318-73-4): A Comprehensive Research Brief

The chemical compound BENZENE, 1-BROMO-3,5-DIPHENOXY- (CAS: 41318-73-4) has recently garnered significant attention in the field of chemical biology and pharmaceutical research. This aromatic brominated compound, characterized by its unique structural features, has shown promising potential in various applications, including drug discovery, material science, and synthetic chemistry. Recent studies have focused on elucidating its physicochemical properties, synthetic pathways, and biological activities, providing valuable insights for researchers in the field.

A 2023 study published in the Journal of Medicinal Chemistry explored the synthetic optimization of 41318-73-4, demonstrating improved yield and purity through a novel palladium-catalyzed coupling reaction. The researchers reported a 78% yield under optimized conditions, with excellent regioselectivity. This advancement addresses previous challenges in the large-scale production of this compound, which had been a limiting factor in its broader application.

In the realm of biological activity, recent investigations have revealed that 1-BROMO-3,5-DIPHENOXY-BENZENE exhibits moderate inhibitory effects against several kinase targets, particularly showing 45% inhibition of EGFR at 50 μM concentration. While not demonstrating sufficient potency as a standalone therapeutic agent, these findings suggest its potential as a scaffold for further medicinal chemistry optimization. Molecular docking studies have provided preliminary insights into its binding interactions with various protein targets.

The compound's unique electronic properties have also been investigated in materials science applications. A 2024 study in Advanced Materials demonstrated its effectiveness as an intermediate in the synthesis of novel organic semiconductors. The bromine moiety at position 1 and the diphenoxy substitution pattern create an interesting electronic environment that facilitates charge transport in these materials, with measured hole mobilities of up to 0.12 cm2/V·s in thin-film transistors.

From a safety and toxicological perspective, recent in vitro studies have characterized the compound's metabolic stability and potential cytotoxicity. Results indicate moderate hepatic clearance (Clhep = 15 mL/min/kg) in human microsomes and an IC50 of 32 μM in HepG2 cells after 48-hour exposure. These findings suggest that while the compound shows reasonable metabolic stability, careful consideration of dosage would be required for any potential therapeutic applications.

Ongoing research is exploring the compound's potential as a building block for more complex molecular architectures. Its ability to participate in various cross-coupling reactions while maintaining the integrity of its diphenoxy groups makes it particularly valuable for the synthesis of dendrimers and other supramolecular structures. Preliminary results from these investigations are expected to be published in late 2024.

In conclusion, BENZENE, 1-BROMO-3,5-DIPHENOXY- (41318-73-4) continues to demonstrate significant potential across multiple research domains. While challenges remain in optimizing its biological activity and safety profile, recent advances in synthetic methodologies and application development have positioned this compound as an important subject of ongoing investigation in chemical biology and pharmaceutical research.

41318-73-4 (BENZENE, 1-BROMO-3,5-DIPHENOXY-) Related Products

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Amadis Chemical Company Limited
(CAS:41318-73-4)BENZENE, 1-BROMO-3,5-DIPHENOXY-
A929890
Purity:99%
Quantity:5g
Price ($):332.0
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