Cas no 1245215-68-2 ((5-Chloropyrazin-2-yl)(pyrrolidin-1-yl)methanone)

(5-Chloropyrazin-2-yl)(pyrrolidin-1-yl)methanone is a heterocyclic compound featuring a pyrazine core functionalized with a chlorinated substituent and a pyrrolidine-derived amide group. This structure imparts versatility in pharmaceutical and agrochemical applications, particularly as a key intermediate in the synthesis of biologically active molecules. The chloropyrazine moiety enhances reactivity, facilitating further derivatization, while the pyrrolidinyl carbonyl group contributes to improved solubility and binding affinity in target interactions. Its well-defined chemical properties make it suitable for use in medicinal chemistry research, including the development of kinase inhibitors and antimicrobial agents. The compound is typically handled under controlled conditions due to its reactive functional groups, ensuring stability and purity in synthetic workflows.
(5-Chloropyrazin-2-yl)(pyrrolidin-1-yl)methanone structure
1245215-68-2 structure
Product Name:(5-Chloropyrazin-2-yl)(pyrrolidin-1-yl)methanone
CAS No:1245215-68-2
MF:C9H10ClN3O
MW:211.648200511932
CID:3167770
PubChem ID:58574087
Update Time:2025-08-04

(5-Chloropyrazin-2-yl)(pyrrolidin-1-yl)methanone Chemical and Physical Properties

Names and Identifiers

    • Methanone, (5-chloro-2-pyrazinyl)-1-pyrrolidinyl-
    • (5-Chloropyrazin-2-yl)(pyrrolidin-1-yl)methanone
    • A1-06879
    • (5-chloropyrazin-2-yl)-pyrrolidin-1-ylmethanone
    • 2-Chloro-5-(pyrrolidine-1-carbonyl)pyrazine
    • 1245215-68-2
    • ZJSNMXJHOCFSNJ-UHFFFAOYSA-N
    • DB-115613
    • SCHEMBL1725086
    • Inchi: 1S/C9H10ClN3O/c10-8-6-11-7(5-12-8)9(14)13-3-1-2-4-13/h5-6H,1-4H2
    • InChI Key: ZJSNMXJHOCFSNJ-UHFFFAOYSA-N
    • SMILES: ClC1=CN=C(C=N1)C(N1CCCC1)=O

Computed Properties

  • Exact Mass: 211.0512396Da
  • Monoisotopic Mass: 211.0512396Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 218
  • 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: 1
  • Topological Polar Surface Area: 46.1?2

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Additional information on (5-Chloropyrazin-2-yl)(pyrrolidin-1-yl)methanone

Exploring the Potential of (5-Chloropyrazin-2-yl)(pyrrolidin-1-yl)methanone in Contemporary Research

The compound with CAS No. 1245215-68-2, commonly referred to as (5-Chloropyrazin-2-yl)(pyrrolidin-1-yl)methanone, has emerged as a significant molecule in the field of organic chemistry and drug discovery. This compound, characterized by its unique structure combining a pyrazine ring, a chloro substituent, and a pyrrolidine moiety, has garnered attention due to its potential applications in medicinal chemistry and materials science. Recent studies have highlighted its role in modulating biological pathways and its utility as a building block for more complex molecular architectures.

One of the key features of (5-Chloropyrazin-2-yl)(pyrrolidin-1-yl)methanone is its versatility in synthetic chemistry. Researchers have exploited its reactivity to develop novel synthetic routes for constructing bioactive molecules. For instance, the pyrazine ring serves as an electron-deficient aromatic system, making it amenable to various electrophilic substitutions. This property has been leveraged in the synthesis of heterocyclic compounds with potential pharmacological activities. Recent advancements in catalytic methods have further enhanced the efficiency of these transformations, enabling the production of enantiomerically enriched derivatives.

In terms of biological activity, (5-Chloropyrazin-2-yl)(pyrrolidin-1-yl)methanone has shown promise as a modulator of protein-protein interactions (PPIs). PPIs are critical for many cellular processes, and disrupting them has become a strategic approach in drug development. Studies conducted using this compound have demonstrated its ability to bind to specific protein targets, thereby inhibiting their interaction with other molecules. This finding opens new avenues for developing therapeutic agents targeting diseases such as cancer and neurodegenerative disorders.

The integration of computational chemistry techniques has further deepened our understanding of this compound's properties. Molecular docking studies have revealed that the chloro-substituted pyrazine ring plays a pivotal role in determining the compound's binding affinity to target proteins. Additionally, quantum mechanical calculations have provided insights into the electronic structure of the molecule, shedding light on its reactivity and stability under various conditions. These computational tools have not only accelerated drug discovery but also facilitated the design of more potent analogs.

Another area where (5-Chloropyrazin-2-yl)(pyrrolidin-1-yl)methanone has made an impact is in materials science. Its ability to form stable coordination complexes with transition metals has led to its use in designing new materials for catalysis and sensing applications. Recent research has focused on incorporating this compound into metalloporphyrins and metallophthalocyanines, which exhibit exceptional catalytic activity in organic transformations. Furthermore, its photochemical properties make it a candidate for applications in optoelectronic devices.

From a synthetic perspective, the preparation of (5-Chloropyrazin-2-yl)(pyrrolidin-1-y)l)methanone involves a multi-step process that typically begins with the synthesis of 5-chloropyrazine derivatives. The subsequent condensation reaction with pyrrolidine derivatives under controlled conditions yields the final product. Optimization of reaction conditions, such as temperature and solvent choice, has been crucial in achieving high yields and purity levels.

In conclusion, CAS No. 1245215

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