Cas no 845866-46-8 (4'-(3-BROMOPHENOXY)ACETOPHENONE)

4'-(3-Bromophenoxy)acetophenone is a brominated aromatic ketone compound with applications in organic synthesis and pharmaceutical intermediates. Its key structural features include a phenoxy linkage and a bromine substituent, which enhance its reactivity in cross-coupling reactions and functional group transformations. The compound serves as a versatile building block for synthesizing more complex molecules, particularly in medicinal chemistry and materials science. Its stability under standard conditions and well-defined reactivity profile make it suitable for controlled synthetic processes. The presence of both electron-withdrawing (carbonyl) and electron-donating (phenoxy) groups allows for selective modifications, offering flexibility in synthetic pathways.
4'-(3-BROMOPHENOXY)ACETOPHENONE structure
845866-46-8 structure
Product Name:4'-(3-BROMOPHENOXY)ACETOPHENONE
CAS No:845866-46-8
MF:C14H11BrO2
MW:291.139943361282
MDL:MFCD06411651
CID:859331
PubChem ID:2757091
Update Time:2025-05-25

4'-(3-BROMOPHENOXY)ACETOPHENONE Chemical and Physical Properties

Names and Identifiers

    • 4'-(3-BROMOPHENOXY)ACETOPHENONE
    • 1-[4-(3-bromophenoxy)phenyl]ethanone
    • 1-[4-(3-bromophenoxy)phenyl]ethan-1-one
    • 1-[4-(3-Bromophenoxy)phenyl]-ethanone
    • MFCD06411651
    • {4-[2-(4-Hydroxy-phenyl)-acetylamino]-benzyl}-carbamicacidtert-butylester
    • SCHEMBL11508157
    • AB92057
    • 845866-46-8
    • CS-0456092
    • VIB86646
    • DTXSID90373730
    • A50604
    • AKOS000219477
    • 1-(4-(3-bromophenoxy)phenyl)ethanone
    • 1-(4-(3-Bromophenoxy)phenyl)ethan-1-one
    • MDL: MFCD06411651
    • Inchi: 1S/C14H11BrO2/c1-10(16)11-5-7-13(8-6-11)17-14-4-2-3-12(15)9-14/h2-9H,1H3
    • InChI Key: GGCSOLJLDJFINE-UHFFFAOYSA-N
    • SMILES: BrC1=CC=CC(=C1)OC1C=CC(C(C)=O)=CC=1

Computed Properties

  • Exact Mass: 289.99400
  • Monoisotopic Mass: 289.99424g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 259
  • 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: 3.8
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • Melting Point: 48-50°C
  • PSA: 26.30000
  • LogP: 4.44400

4'-(3-BROMOPHENOXY)ACETOPHENONE Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Fluorochem
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845866-46-8 97%
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abcr
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Advanced ChemBlocks
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Additional information on 4'-(3-BROMOPHENOXY)ACETOPHENONE

Comprehensive Overview of 4'-(3-BROMOPHENOXY)ACETOPHENONE (CAS No. 845866-46-8): Properties, Applications, and Industry Insights

4'-(3-BROMOPHENOXY)ACETOPHENONE (CAS No. 845866-46-8) is a specialized organic compound widely recognized for its role in pharmaceutical intermediates and advanced material synthesis. This brominated aromatic ketone features a unique molecular structure combining a phenoxy group with a 3-bromophenyl substituent, making it valuable for cross-coupling reactions and functional group transformations. Its high purity and stability under controlled conditions have positioned it as a critical building block in modern organic chemistry.

In recent years, the demand for 4'-(3-BROMOPHENOXY)ACETOPHENONE has surged due to its applications in drug discovery and material science. Researchers frequently inquire about its synthetic pathways, with common search queries including "CAS 845866-46-8 supplier" and "3-bromophenoxy acetophenone synthesis." The compound’s electrophilic reactivity enables its use in Suzuki-Miyaura couplings, a topic gaining traction in AI-driven chemistry platforms. Environmental considerations also drive interest in green synthesis methods for such intermediates.

The physicochemical properties of 4'-(3-BROMOPHENOXY)ACETOPHENONE include a molecular weight of 291.14 g/mol and a melting point range of 85–88°C. Its solubility profile (soluble in DMSO, acetone) makes it compatible with diverse reaction conditions. Analytical techniques like HPLC and NMR are essential for quality verification, addressing frequent user questions about "CAS 845866-46-8 purity analysis." Regulatory-compliant handling ensures safety without compromising performance.

Industry trends highlight the compound’s relevance in OLED materials and agrochemical research, aligning with searches for "functionalized acetophenones for electronics." Innovations in catalytic bromination techniques further enhance its accessibility. For optimal SEO visibility, this content integrates keywords such as "3-bromophenyl ether derivatives" and "845866-46-8 applications," while maintaining technical rigor for academic and industrial audiences.

Future prospects for 4'-(3-BROMOPHENOXY)ACETOPHENONE include expanded roles in photocatalysis and bioconjugation, areas frequently explored in AI-assisted molecular design. As sustainability becomes paramount, researchers seek atom-efficient protocols for its production—addressing queries like "eco-friendly bromophenoxy ketone synthesis." This positions the compound at the intersection of innovation and environmental responsibility.

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