Cas no 893612-64-1 (Methanone,(3-fluorophenyl)-1H-pyrrol-3-yl-)

Methanone, (3-fluorophenyl)-1H-pyrrol-3-yl-, is a fluorinated aromatic ketone derivative with potential applications in pharmaceutical and agrochemical research. Its structure incorporates a 3-fluorophenyl group linked to a pyrrole moiety via a carbonyl bridge, offering unique electronic and steric properties. This compound may serve as a versatile intermediate in the synthesis of biologically active molecules, particularly in the development of kinase inhibitors or antimicrobial agents. The fluorine substituent enhances metabolic stability and binding affinity in target interactions. Its well-defined molecular architecture allows for precise modifications, making it valuable for structure-activity relationship studies. The compound is typically handled under controlled conditions due to its reactive functional groups.
Methanone,(3-fluorophenyl)-1H-pyrrol-3-yl- structure
893612-64-1 structure
Product Name:Methanone,(3-fluorophenyl)-1H-pyrrol-3-yl-
CAS No:893612-64-1
MF:C11H8FNO
MW:189.185726165771
MDL:MFCD08056193
CID:714567
Update Time:2026-04-29

Methanone,(3-fluorophenyl)-1H-pyrrol-3-yl- Chemical and Physical Properties

Names and Identifiers

    • Methanone,(3-fluorophenyl)-1H-pyrrol-3-yl-
    • 3-(3-FLUOROBENZOYL)-1H-PYRROLE
    • MDL: MFCD08056193

Computed Properties

  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 219
  • 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
  • Surface Charge: 0
  • Tautomer Count: 3
  • XLogP3: 2.2

Methanone,(3-fluorophenyl)-1H-pyrrol-3-yl- Security Information

  • Hazardous Material Identification: C

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Additional information on Methanone,(3-fluorophenyl)-1H-pyrrol-3-yl-

Methanone,(3-fluorophenyl)-1H-pyrrol-3-yl- (CAS No: 893612-64-1)

Methanone,(3-fluorophenyl)-1H-pyrrol-3-yl-, also known by its CAS registry number 893612-64-1, is a fascinating compound that has garnered significant attention in the fields of organic chemistry and pharmacology. This compound is a derivative of methanone, featuring a (3-fluorophenyl) group and a 1H-pyrrol-3-yl substituent. The combination of these groups imparts unique chemical properties, making it a valuable molecule for both academic research and potential industrial applications.

The structure of Methanone,(3-fluorophenyl)-1H-pyrrol-3-yl- consists of a central ketone group (methanone) attached to two distinct aromatic rings. The (3-fluorophenyl) group introduces electron-withdrawing effects due to the fluorine atom, which can influence the reactivity and stability of the molecule. On the other hand, the 1H-pyrrol-3-yl group contributes aromaticity and potential hydrogen bonding capabilities, enhancing the compound's versatility in various chemical reactions.

Recent studies have highlighted the importance of Methanone,(3-fluorophenyl)-1H-pyrrol-3-yl- in drug discovery efforts. Its unique electronic properties make it a promising candidate for designing bioactive molecules with potential applications in treating various diseases. For instance, researchers have explored its role as a scaffold for developing inhibitors targeting key enzymes involved in cancer progression. The compound's ability to interact with biological systems has been extensively studied using computational modeling and in vitro assays, yielding valuable insights into its pharmacokinetic profile.

In terms of synthesis, Methanone,(3-fluorophenyl)-1H-pyrrol-3-yl- can be prepared through a variety of methods, including nucleophilic aromatic substitution and coupling reactions. One notable approach involves the use of transition metal catalysts to facilitate the formation of the carbon-carbon bonds between the phenyl and pyrrole moieties. These methods not only ensure high yields but also allow for precise control over the stereochemistry of the final product.

The biological activity of Methanone,(3-fluorophenyl)-1H-pyrrol-3-yl- has been extensively investigated. In one recent study, it was found to exhibit potent anti-inflammatory properties by inhibiting the production of pro-inflammatory cytokines in macrophage cells. Additionally, its ability to modulate cellular signaling pathways has made it a subject of interest in neurodegenerative disease research. Preclinical data suggest that this compound may have potential as a therapeutic agent for conditions such as Alzheimer's disease.

From an environmental perspective, understanding the fate and transport of Methanone,(3-fluorophenyl)-1H-pyrrol-3-yl-* is crucial for assessing its potential impact on ecosystems. Studies have shown that this compound undergoes rapid degradation under aerobic conditions, reducing its persistence in aquatic environments. However, further research is needed to evaluate its long-term effects on non-target organisms.

In conclusion, Methanone,(3-fluorophenyl)-1H-pyrrol

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