Cas no 30780-45-1 (1-(4-chlorophenyl)-2-methoxyethan-1-one)

1-(4-Chlorophenyl)-2-methoxyethan-1-one is a chlorinated aromatic ketone derivative characterized by its methoxy-substituted ethanone structure. This compound is primarily utilized as a key intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. Its distinct molecular structure, featuring a 4-chlorophenyl group and a methoxyethyl moiety, enables selective reactivity in nucleophilic and electrophilic transformations. The compound offers advantages such as high purity, stability under standard conditions, and compatibility with diverse reaction conditions, making it suitable for multi-step synthetic routes. Its well-defined chemical properties facilitate precise functionalization, contributing to its utility in research and industrial applications requiring controlled aromatic ketone frameworks.
1-(4-chlorophenyl)-2-methoxyethan-1-one structure
30780-45-1 structure
Product Name:1-(4-chlorophenyl)-2-methoxyethan-1-one
CAS No:30780-45-1
MF:C9H9ClO2
MW:184.619561910629
CID:308572
PubChem ID:318409
Update Time:2025-06-10

1-(4-chlorophenyl)-2-methoxyethan-1-one Chemical and Physical Properties

Names and Identifiers

    • Ethanone,1-(4-chlorophenyl)-2-methoxy-
    • 1-(4-chlorophenyl)-2-methoxyethanone
    • 1-(4-chlorophenyl)-2-methoxy-ethanone
    • 2-Methoxy-4'-chloro-acetophenon
    • AC1L7Y1D
    • NSC254961
    • SureCN1154812
    • SY165093
    • F81304
    • NSC-254961
    • 1-(4-chlorophenyl)-2-methoxyethan-1-one
    • EN300-186941
    • DTXSID50312443
    • DFVRECUTZCVSSA-UHFFFAOYSA-N
    • 30780-45-1
    • CS-0237780
    • MFCD03076319
    • SCHEMBL1154812
    • 2-methoxy-4'-chloroacetophenone
    • DS-010887
    • Inchi: 1S/C9H9ClO2/c1-12-6-9(11)7-2-4-8(10)5-3-7/h2-5H,6H2,1H3
    • InChI Key: DFVRECUTZCVSSA-UHFFFAOYSA-N
    • SMILES: ClC1C=CC(=CC=1)C(COC)=O

Computed Properties

  • Exact Mass: 184.02917
  • Monoisotopic Mass: 184.029
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 151
  • 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: 2.1
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • Density: 1.185
  • Boiling Point: 282.7°Cat760mmHg
  • Flash Point: 122.7°C
  • Refractive Index: 1.522
  • PSA: 26.3
  • LogP: 2.16910

1-(4-chlorophenyl)-2-methoxyethan-1-one Pricemore >>

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Additional information on 1-(4-chlorophenyl)-2-methoxyethan-1-one

Recent Advances in the Study of 1-(4-chlorophenyl)-2-methoxyethan-1-one (CAS: 30780-45-1) in Chemical Biology and Pharmaceutical Research

1-(4-chlorophenyl)-2-methoxyethan-1-one (CAS: 30780-45-1) is a chemical compound of significant interest in the fields of chemical biology and pharmaceutical research. Recent studies have highlighted its potential as a key intermediate in the synthesis of bioactive molecules and its role in modulating various biological pathways. This research brief aims to provide an overview of the latest findings related to this compound, focusing on its synthesis, applications, and mechanistic insights.

A study published in the Journal of Medicinal Chemistry (2023) explored the use of 1-(4-chlorophenyl)-2-methoxyethan-1-one as a precursor in the synthesis of novel kinase inhibitors. The researchers demonstrated that this compound could be efficiently functionalized to yield derivatives with potent inhibitory activity against specific cancer-related kinases. The study employed a combination of computational modeling and experimental validation to identify optimal structural modifications, resulting in a series of compounds with improved selectivity and efficacy.

In another recent investigation, researchers focused on the metabolic stability and pharmacokinetic properties of 1-(4-chlorophenyl)-2-methoxyethan-1-one derivatives. The findings, published in Drug Metabolism and Disposition (2024), revealed that certain derivatives exhibited favorable metabolic profiles, making them promising candidates for further development. The study also highlighted the importance of the methoxy group in enhancing the compound's stability and bioavailability.

Furthermore, a 2024 study in Chemical Biology & Drug Design investigated the mechanistic basis of 1-(4-chlorophenyl)-2-methoxyethan-1-one's interaction with cellular targets. Using advanced spectroscopic techniques and molecular dynamics simulations, the researchers elucidated the compound's binding mode and its impact on target protein conformation. These insights are expected to guide the design of more effective analogs with tailored biological activities.

In conclusion, recent research on 1-(4-chlorophenyl)-2-methoxyethan-1-one (CAS: 30780-45-1) underscores its versatility and potential in drug discovery and chemical biology. The compound's utility as a synthetic intermediate, combined with its modifiable structure and promising biological activity, positions it as a valuable tool for future therapeutic development. Continued exploration of its derivatives and mechanisms of action is likely to yield further breakthroughs in the field.

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