Cas no 801982-54-7 (3-(3,4-dichlorophenyl)Azetidine)

3-(3,4-Dichlorophenyl)azetidine is a heterocyclic organic compound featuring an azetidine ring substituted with a 3,4-dichlorophenyl group. This structure imparts unique reactivity and potential utility in pharmaceutical and agrochemical applications, particularly as a building block for bioactive molecules. The presence of the dichlorophenyl moiety enhances lipophilicity, which may improve membrane permeability in drug design. The strained azetidine ring offers opportunities for selective functionalization, making it a versatile intermediate in synthetic chemistry. Its well-defined stereochemistry and rigid framework contribute to precise molecular interactions in target binding studies. The compound is typically handled under controlled conditions due to its reactive nature.
3-(3,4-dichlorophenyl)Azetidine structure
801982-54-7 structure
Product Name:3-(3,4-dichlorophenyl)Azetidine
CAS No:801982-54-7
MF:C9H9Cl2N
MW:202.080460309982
MDL:MFCD17480829
CID:2118174
PubChem ID:82282438
Update Time:2025-06-11

3-(3,4-dichlorophenyl)Azetidine Chemical and Physical Properties

Names and Identifiers

    • 3-(3,4-dichlorophenyl)Azetidine
    • CID 82282438
    • Azetidine, 3-(3,4-dichlorophenyl)-
    • MDL: MFCD17480829
    • Inchi: 1S/C9H9Cl2N/c10-8-2-1-6(3-9(8)11)7-4-12-5-7/h1-3,7,12H,4-5H2
    • InChI Key: FGGBXXRQVQIIEJ-UHFFFAOYSA-N
    • SMILES: ClC1=C(C=CC(=C1)C1CNC1)Cl

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 159
  • Topological Polar Surface Area: 12

Experimental Properties

  • Density: 1.302±0.06 g/cm3(Predicted)
  • Boiling Point: 292.1±40.0 °C(Predicted)
  • pka: 10.11±0.40(Predicted)

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Additional information on 3-(3,4-dichlorophenyl)Azetidine

Comprehensive Overview of 3-(3,4-dichlorophenyl)Azetidine (CAS No. 801982-54-7): Properties, Applications, and Research Insights

3-(3,4-dichlorophenyl)Azetidine (CAS No. 801982-54-7) is a specialized organic compound that has garnered significant attention in pharmaceutical and agrochemical research due to its unique structural features. The compound belongs to the azetidine class, a four-membered nitrogen-containing heterocycle, which is increasingly explored for its bioactivity and synthetic versatility. Its molecular formula, C9H9Cl2N, highlights the presence of a 3,4-dichlorophenyl moiety, a structural motif often associated with enhanced binding affinity in drug discovery.

In recent years, the demand for nitrogen heterocycles like azetidines has surged, driven by their applications in designing small-molecule inhibitors and biologically active compounds. Researchers frequently search for "3-(3,4-dichlorophenyl)Azetidine synthesis" or "CAS 801982-54-7 applications," reflecting the compound's relevance in medicinal chemistry. Its potential as a pharmacophore in CNS-targeting drugs or enzyme modulators aligns with trends in neurodegenerative disease and oncology research.

The compound's physicochemical properties, such as its moderate lipophilicity (LogP ~2.5) and molecular weight (~202.08 g/mol), make it suitable for drug-like molecule optimization. Studies suggest that the 3,4-dichlorophenyl group enhances metabolic stability, a critical factor in ADME (Absorption, Distribution, Metabolism, Excretion) profiling. This aligns with industry searches for "improving drug half-life" or "scaffold modifications for bioavailability."

Beyond pharmaceuticals, 3-(3,4-dichlorophenyl)Azetidine is investigated in agrochemical innovation, particularly in developing crop protection agents. The dichlorophenyl group's electron-withdrawing properties may contribute to pesticidal activity, addressing global concerns about sustainable agriculture and resistance management. Queries like "azetidine derivatives in agrochemistry" underscore this interdisciplinary interest.

Synthetic routes to CAS 801982-54-7 typically involve ring-closing strategies or Pd-catalyzed cross-coupling, topics frequently searched in organic synthesis forums. Recent patents highlight microwave-assisted techniques to improve yield, reflecting the green chemistry trend. Analytical characterization via NMR, HPLC, and mass spectrometry ensures purity, a priority for researchers querying "quality control of heterocyclic compounds."

Safety and regulatory aspects of 3-(3,4-dichlorophenyl)Azetidine adhere to standard laboratory protocols. While not classified as high-risk, proper handling is emphasized in chemical safety databases, aligning with searches for "non-hazardous heterocycles." The compound's stability under ambient conditions makes it a practical candidate for high-throughput screening.

In conclusion, 3-(3,4-dichlorophenyl)Azetidine (CAS No. 801982-54-7) exemplifies the intersection of structural innovation and applied research. Its dual relevance in life sciences and material chemistry positions it as a compound of enduring scientific value, addressing contemporary challenges from drug discovery to smart agrochemicals.

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