Cas no 23464-42-8 (Benzene, 1-(4-bromobutyl)-3-methoxy-)

Benzene, 1-(4-bromobutyl)-3-methoxy-, is a brominated aromatic compound featuring a methoxy substituent at the meta position relative to the 4-bromobutyl side chain. This structure lends versatility in synthetic applications, particularly as an intermediate in organic synthesis and pharmaceutical manufacturing. The bromobutyl moiety provides a reactive site for nucleophilic substitution, enabling further functionalization, while the methoxy group enhances solubility and influences electronic properties. Its well-defined reactivity profile makes it valuable for constructing complex molecular architectures. The compound is typically handled under controlled conditions due to the reactivity of the bromine substituent. Suitable for use in research and industrial settings requiring precise aromatic modifications.
Benzene, 1-(4-bromobutyl)-3-methoxy- structure
23464-42-8 structure
Product Name:Benzene, 1-(4-bromobutyl)-3-methoxy-
CAS No:23464-42-8
MF:C11H15BrO
MW:243.140202760696
MDL:MFCD20343146
CID:1414342
PubChem ID:64506683
Update Time:2025-06-09

Benzene, 1-(4-bromobutyl)-3-methoxy- Chemical and Physical Properties

Names and Identifiers

    • Benzene, 1-(4-bromobutyl)-3-methoxy-
    • AB90865
    • 1-(4-Bromobutyl)-3-methoxybenzene
    • F80581
    • 23464-42-8
    • AKOS013831017
    • 1-bromo-4-(3-methoxyphenyl)butane
    • MDL: MFCD20343146
    • Inchi: 1S/C11H15BrO/c1-13-11-7-4-6-10(9-11)5-2-3-8-12/h4,6-7,9H,2-3,5,8H2,1H3
    • InChI Key: ZDYSZJCJYZSFRL-UHFFFAOYSA-N
    • SMILES: BrCCCCC1C=CC=C(C=1)OC

Computed Properties

  • Exact Mass: 242.03065
  • Monoisotopic Mass: 242.03063g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 5
  • Complexity: 127
  • 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: 4
  • Topological Polar Surface Area: 9.2?2

Experimental Properties

  • PSA: 9.23

Benzene, 1-(4-bromobutyl)-3-methoxy- Pricemore >>

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Additional information on Benzene, 1-(4-bromobutyl)-3-methoxy-

Recent Advances in the Study of Benzene, 1-(4-bromobutyl)-3-methoxy- (CAS: 23464-42-8) and Its Applications in Chemical Biology and Pharmaceutical Research

Benzene, 1-(4-bromobutyl)-3-methoxy- (CAS: 23464-42-8) is a brominated aromatic compound that has garnered significant attention in recent years due to its potential applications in chemical biology and pharmaceutical research. This compound, characterized by its unique structural features, serves as a versatile intermediate in the synthesis of various bioactive molecules. Recent studies have explored its utility in drug discovery, particularly in the development of novel therapeutic agents targeting cancer, infectious diseases, and neurological disorders.

One of the key areas of research involving Benzene, 1-(4-bromobutyl)-3-methoxy- is its role as a building block in the synthesis of small-molecule inhibitors. A 2023 study published in the Journal of Medicinal Chemistry demonstrated its efficacy in the design of kinase inhibitors, which are critical for targeting aberrant signaling pathways in cancer. The bromobutyl side chain of the compound allows for facile functionalization, enabling the introduction of various pharmacophores to enhance binding affinity and selectivity.

In addition to its applications in oncology, recent investigations have highlighted the compound's potential in antimicrobial drug development. A study conducted by researchers at the University of Cambridge in 2024 revealed that derivatives of Benzene, 1-(4-bromobutyl)-3-methoxy- exhibit potent activity against multidrug-resistant bacterial strains. The methoxy group in the compound was found to play a crucial role in modulating the lipophilicity and membrane permeability of the resulting antimicrobial agents.

Another promising avenue of research involves the use of Benzene, 1-(4-bromobutyl)-3-methoxy- in the development of neuroprotective agents. A 2024 paper in ACS Chemical Neuroscience reported that the compound's derivatives could effectively cross the blood-brain barrier and exhibit neuroprotective effects in models of neurodegenerative diseases such as Alzheimer's and Parkinson's. The bromine atom in the molecule was identified as a key functional group that facilitates interactions with neuronal targets.

Despite these advancements, challenges remain in optimizing the pharmacokinetic and safety profiles of Benzene, 1-(4-bromobutyl)-3-methoxy- derivatives. Recent toxicological studies have raised concerns about potential off-target effects, necessitating further structure-activity relationship (SAR) studies to refine the compound's therapeutic potential. Collaborative efforts between academic and industrial researchers are underway to address these issues and accelerate the translation of these findings into clinical applications.

In conclusion, Benzene, 1-(4-bromobutyl)-3-methoxy- (CAS: 23464-42-8) represents a promising scaffold in chemical biology and pharmaceutical research. Its versatility as a synthetic intermediate, combined with its demonstrated bioactivity, positions it as a valuable tool for drug discovery. Future research should focus on elucidating its mechanism of action, optimizing its derivatives, and exploring its potential in other therapeutic areas.

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