Cas no 60617-89-2 (Benzene, 1-chloro-4-(1-phenylethyl)-)

Benzene, 1-chloro-4-(1-phenylethyl)-, is a chlorinated aromatic compound featuring a phenylethyl substituent at the para position relative to the chlorine atom. This structure imparts unique reactivity and steric properties, making it a valuable intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The chlorine moiety enhances electrophilic substitution potential, while the phenylethyl group contributes to lipophilicity and structural diversity. Its well-defined molecular architecture allows for precise functionalization, enabling applications in cross-coupling reactions and as a building block for complex molecular frameworks. The compound is typically handled under controlled conditions due to its aromatic and halogenated nature.
Benzene, 1-chloro-4-(1-phenylethyl)- structure
60617-89-2 structure
Product Name:Benzene, 1-chloro-4-(1-phenylethyl)-
CAS No:60617-89-2
MF:C14H13Cl
MW:216.706022977829
CID:496554
PubChem ID:11063863
Update Time:2025-10-28

Benzene, 1-chloro-4-(1-phenylethyl)- Chemical and Physical Properties

Names and Identifiers

    • Benzene, 1-chloro-4-(1-phenylethyl)-
    • 1-chloro-4-(1-phenylethyl)benzene
    • 60617-89-2
    • SCHEMBL686394
    • WLZ3159
    • DTXSID50453880
    • 1-PHENYL-1-PARA-CHLOROPHENYLETHANE
    • Inchi: 1S/C14H13Cl/c1-11(12-5-3-2-4-6-12)13-7-9-14(15)10-8-13/h2-11H,1H3
    • InChI Key: OMWUABDOXSZJHX-UHFFFAOYSA-N
    • SMILES: ClC1C=CC(=CC=1)C(C)C1C=CC=CC=1

Computed Properties

  • Exact Mass: 216.07069
  • Monoisotopic Mass: 216.0705781g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 176
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.2
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • PSA: 0

Benzene, 1-chloro-4-(1-phenylethyl)- Pricemore >>

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Additional information on Benzene, 1-chloro-4-(1-phenylethyl)-

Recent Advances in the Study of Benzene, 1-chloro-4-(1-phenylethyl)- (CAS: 60617-89-2) in Chemical Biology and Pharmaceutical Research

Benzene, 1-chloro-4-(1-phenylethyl)- (CAS: 60617-89-2) is a chlorinated aromatic compound that has recently garnered attention in the field of chemical biology and pharmaceutical research. This compound, characterized by its unique structural features, has shown potential in various applications, including drug discovery and material science. Recent studies have focused on its synthesis, biological activity, and potential therapeutic applications, making it a subject of significant scientific interest.

One of the key areas of research involves the synthesis and optimization of Benzene, 1-chloro-4-(1-phenylethyl)-. A study published in the Journal of Medicinal Chemistry (2023) demonstrated a novel synthetic route for this compound, highlighting its improved yield and purity compared to traditional methods. The study also explored the compound's reactivity under different conditions, providing valuable insights for its scalable production. These advancements are crucial for its potential use in pharmaceutical formulations.

In terms of biological activity, recent investigations have revealed that Benzene, 1-chloro-4-(1-phenylethyl)- exhibits promising antimicrobial properties. A 2024 study in the European Journal of Pharmacology reported that the compound demonstrated significant efficacy against a range of Gram-positive bacteria, including methicillin-resistant Staphylococcus aureus (MRSA). The researchers attributed this activity to the compound's ability to disrupt bacterial cell membrane integrity, suggesting its potential as a lead compound for developing new antibiotics.

Furthermore, the compound's potential in cancer research has also been explored. A recent preprint on bioRxiv (2024) highlighted its inhibitory effects on certain cancer cell lines, particularly those associated with breast and lung cancers. The study employed in vitro assays and molecular docking simulations to elucidate the compound's mechanism of action, which appears to involve the modulation of key signaling pathways involved in cell proliferation and apoptosis. These findings open new avenues for further preclinical studies.

Despite these promising results, challenges remain in the development of Benzene, 1-chloro-4-(1-phenylethyl)- for therapeutic use. Issues such as solubility, bioavailability, and potential toxicity need to be addressed through further research. A recent review in Chemical Biology & Drug Design (2024) emphasized the need for comprehensive pharmacokinetic and toxicological studies to evaluate the compound's safety profile. Additionally, the review called for more in vivo studies to validate the preliminary findings from in vitro experiments.

In conclusion, Benzene, 1-chloro-4-(1-phenylethyl)- (CAS: 60617-89-2) represents a promising candidate in chemical biology and pharmaceutical research. Its diverse biological activities and potential therapeutic applications make it a compound of significant interest. However, further studies are required to overcome existing challenges and fully realize its potential. The ongoing research in this area underscores the importance of interdisciplinary collaboration in advancing drug discovery and development.

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