Cas no 2228841-25-4 (1-1-(3,5-dichloropyridin-4-yl)cyclopropylethan-1-one)

1-1-(3,5-Dichloropyridin-4-yl)cyclopropylethan-1-one is a specialized organic compound featuring a cyclopropyl ketone moiety attached to a dichloropyridine ring. Its unique structure, combining a rigid cyclopropyl group with a halogenated pyridine core, makes it a valuable intermediate in synthetic chemistry, particularly for agrochemical and pharmaceutical applications. The presence of chlorine atoms enhances reactivity, facilitating further functionalization, while the cyclopropane ring contributes to steric and electronic effects that can influence biological activity. This compound is well-suited for use in cross-coupling reactions, nucleophilic substitutions, and other transformations where precise molecular architecture is required. Its stability and defined reactivity profile make it a reliable building block in advanced chemical synthesis.
1-1-(3,5-dichloropyridin-4-yl)cyclopropylethan-1-one structure
2228841-25-4 structure
Product Name:1-1-(3,5-dichloropyridin-4-yl)cyclopropylethan-1-one
CAS No:2228841-25-4
MF:C10H9Cl2NO
MW:230.090560674667
CID:5918927
PubChem ID:165720783
Update Time:2025-11-02

1-1-(3,5-dichloropyridin-4-yl)cyclopropylethan-1-one Chemical and Physical Properties

Names and Identifiers

    • 1-1-(3,5-dichloropyridin-4-yl)cyclopropylethan-1-one
    • EN300-1977096
    • 1-[1-(3,5-dichloropyridin-4-yl)cyclopropyl]ethan-1-one
    • 2228841-25-4
    • Inchi: 1S/C10H9Cl2NO/c1-6(14)10(2-3-10)9-7(11)4-13-5-8(9)12/h4-5H,2-3H2,1H3
    • InChI Key: OPYCYONIJHLTSR-UHFFFAOYSA-N
    • SMILES: ClC1C=NC=C(C=1C1(C(C)=O)CC1)Cl

Computed Properties

  • Exact Mass: 229.0061193g/mol
  • Monoisotopic Mass: 229.0061193g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 243
  • 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: 30?2

1-1-(3,5-dichloropyridin-4-yl)cyclopropylethan-1-one Pricemore >>

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1-1-(3,5-dichloropyridin-4-yl)cyclopropylethan-1-one Related Literature

Additional information on 1-1-(3,5-dichloropyridin-4-yl)cyclopropylethan-1-one

Comprehensive Overview of 1-1-(3,5-dichloropyridin-4-yl)cyclopropylethan-1-one (CAS No. 2228841-25-4): Properties, Applications, and Industry Insights

The compound 1-1-(3,5-dichloropyridin-4-yl)cyclopropylethan-1-one (CAS No. 2228841-25-4) is a specialized organic molecule gaining attention in pharmaceutical and agrochemical research due to its unique structural features. With a molecular formula that combines a cyclopropyl ring and a dichloropyridine moiety, this ketone derivative exhibits remarkable potential in targeted applications. Its heterocyclic framework and electron-withdrawing groups contribute to its reactivity, making it a valuable intermediate in synthetic chemistry.

Recent studies highlight the growing demand for pyridine-based compounds like 1-1-(3,5-dichloropyridin-4-yl)cyclopropylethan-1-one in drug discovery. Researchers are particularly interested in its role as a building block for kinase inhibitors and antimicrobial agents. The 3,5-dichloro substitution enhances its binding affinity to biological targets, while the cyclopropyl ketone group offers synthetic versatility for further derivatization. These properties align with current trends in fragment-based drug design and small molecule therapeutics.

From an industrial perspective, the synthesis of CAS 2228841-25-4 requires precise control of reaction conditions to maintain high purity. Advanced techniques such as HPLC purification and crystallization optimization are often employed to meet the stringent quality standards required for pharmaceutical applications. The compound's stability under various pH conditions makes it suitable for formulation development, addressing the industry's need for robust intermediates in API manufacturing.

Environmental considerations surrounding halogenated compounds have prompted innovations in the sustainable production of 1-1-(3,5-dichloropyridin-4-yl)cyclopropylethan-1-one. Green chemistry approaches, including catalytic chlorination and solvent recovery systems, are being implemented to reduce waste generation. These advancements respond to the increasing market demand for eco-friendly synthesis methods while maintaining cost-effectiveness in large-scale production.

The analytical characterization of 2228841-25-4 typically involves comprehensive spectroscopic techniques including NMR, mass spectrometry, and X-ray crystallography. These methods confirm the compound's structural integrity and purity, which are critical parameters for regulatory compliance in pharmaceutical applications. Recent publications have demonstrated novel crystal polymorphs of this compound, offering potential advantages in solubility and bioavailability for formulation scientists.

Market analysis indicates growing interest in cyclopropyl-containing compounds like 1-1-(3,5-dichloropyridin-4-yl)cyclopropylethan-1-one across multiple regions. Patent landscapes reveal increasing R&D activity surrounding this chemical class, particularly in oncology and CNS drug development. The compound's intellectual property status and manufacturing scalability are key factors being evaluated by potential commercial partners in the life sciences sector.

Future research directions for CAS 2228841-25-4 may explore its potential in bioconjugation chemistry and prodrug development. The compound's balanced lipophilicity, as indicated by computational logP predictions, suggests possible applications in drug delivery systems. Additionally, its metabolic stability profile warrants further investigation through in vitro ADME studies, which could unlock new therapeutic applications for this versatile chemical entity.

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