Cas no 863453-76-3 (1-Pyrrolidineethanamine, N-(4-nitrophenyl)-)

1-Pyrrolidineethanamine, N-(4-nitrophenyl)-, is a specialized organic compound featuring a pyrrolidine core substituted with an ethanamine group and a 4-nitrophenyl moiety. This structure imparts unique reactivity, making it valuable as an intermediate in pharmaceutical and agrochemical synthesis. The presence of the nitro group enhances its utility in electrophilic substitution reactions, while the pyrrolidine ring contributes to conformational flexibility, aiding in the design of bioactive molecules. Its well-defined chemical properties ensure consistent performance in coupling reactions and as a building block for heterocyclic frameworks. Suitable for research and industrial applications, it offers precise functionality for advanced synthetic pathways.
1-Pyrrolidineethanamine, N-(4-nitrophenyl)- structure
863453-76-3 structure
Product Name:1-Pyrrolidineethanamine, N-(4-nitrophenyl)-
CAS No:863453-76-3
MF:C12H17N3O2
MW:235.282282590866
CID:661986
PubChem ID:58598908
Update Time:2025-05-25

1-Pyrrolidineethanamine, N-(4-nitrophenyl)- Chemical and Physical Properties

Names and Identifiers

    • 1-Pyrrolidineethanamine, N-(4-nitrophenyl)-
    • 4-nitro-N-(2-pyrrolidin-1-ylethyl)aniline
    • N-(4-nitrophenyl)-1-Pyrrolidineethanamine
    • FT-0747759
    • BS-24113
    • 4-Nitro-N-[2-(pyrrolidin-1-yl)ethyl]aniline
    • DUGUFBRTAQGQJO-UHFFFAOYSA-N
    • SCHEMBL3585157
    • 4-Nitro-N-(2-(pyrrolidin-1-yl)ethyl)aniline
    • AKOS008995820
    • (4-Nitro-phenyl)-(2-pyrrolidin-1-yl-ethyl)-amine
    • DTXSID70729458
    • 863453-76-3
    • Inchi: 1S/C12H17N3O2/c16-15(17)12-5-3-11(4-6-12)13-7-10-14-8-1-2-9-14/h3-6,13H,1-2,7-10H2
    • InChI Key: DUGUFBRTAQGQJO-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1C=CC(=CC=1)NCCN1CCCC1)=O

Computed Properties

  • Exact Mass: 235.132076794g/mol
  • Monoisotopic Mass: 235.132076794g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 241
  • 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: 2.3
  • Topological Polar Surface Area: 61.1?2

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Additional information on 1-Pyrrolidineethanamine, N-(4-nitrophenyl)-

Introduction to 1-Pyrrolidineethanamine, N-(4-nitrophenyl) and Its Applications in Modern Chemical Biology

1-Pyrrolidineethanamine, N-(4-nitrophenyl), identified by the CAS number 863453-76-3, is a specialized organic compound that has garnered significant attention in the field of chemical biology due to its unique structural and functional properties. This compound belongs to the class of pyrrolidine derivatives, which are known for their diverse pharmacological activities and biological relevance. The presence of a nitrophenyl group in its molecular structure enhances its reactivity and potential applications in synthetic chemistry and drug development.

The molecular structure of 1-Pyrrolidineethanamine, N-(4-nitrophenyl) consists of a pyrrolidine ring linked to an amine group, with the nitrophenyl moiety attached at the 4-position. This arrangement imparts specific electronic and steric properties, making it a valuable intermediate in the synthesis of more complex molecules. The nitro group is particularly noteworthy, as it can participate in various chemical transformations, including reduction to an amine or nucleophilic substitution reactions, which are crucial for medicinal chemistry applications.

In recent years, there has been a surge in research focused on developing novel therapeutic agents targeting neurological disorders. Pyrrolidine derivatives have emerged as promising candidates due to their ability to interact with biological targets such as enzymes and receptors. The nitrophenyl substituent in 1-Pyrrolidineethanamine, N-(4-nitrophenyl) adds an additional layer of functionality that can be exploited for designing molecules with enhanced binding affinity and selectivity. For instance, studies have shown that nitroaromatic compounds can exhibit potent effects on neurotransmitter systems, making them attractive for the development of new treatments for conditions like depression and anxiety.

One of the most compelling aspects of 1-Pyrrolidineethanamine, N-(4-nitrophenyl) is its potential as a building block for more complex drug candidates. Researchers have leveraged its structural features to design molecules that modulate various biological pathways. For example, derivatives of this compound have been investigated for their role in inhibiting kinases, which are enzymes involved in cell signaling pathways implicated in cancer and inflammation. The nitrophenyl group provides a handle for further chemical modifications, allowing chemists to fine-tune the properties of the resulting compounds.

The synthesis of 1-Pyrrolidineethanamine, N-(4-nitrophenyl) involves multi-step organic reactions that highlight the compound's synthetic utility. The process typically begins with the preparation of a pyrrolidine derivative followed by functionalization with a 4-nitrophenyl group via nucleophilic substitution or other coupling reactions. Advances in synthetic methodologies have enabled more efficient and scalable production methods, making this compound more accessible for research purposes. These improvements have been instrumental in accelerating the discovery and development of new pharmaceuticals.

Recent studies have also explored the pharmacokinetic properties of 1-Pyrrolidineethanamine, N-(4-nitrophenyl) and its derivatives. Understanding how these compounds are absorbed, distributed, metabolized, and excreted is crucial for optimizing their therapeutic potential. Computational modeling techniques have been employed to predict the behavior of these molecules in vivo, providing valuable insights into their biological fate. Such studies are essential for designing drugs that not only exhibit potent activity but also demonstrate favorable pharmacokinetic profiles.

The role of 1-Pyrrolidineethanamine, N-(4-nitrophenyl) in drug discovery extends beyond its use as a synthetic intermediate. It has been employed in high-throughput screening campaigns to identify lead compounds with therapeutic activity. The nitrophenyl group serves as a recognition element that can interact with target proteins or enzymes, facilitating the identification of molecules with desirable biological properties. This approach has led to the discovery of several promising candidates that are currently undergoing further investigation.

In conclusion,1-Pyrrolidineethanamine, N-(4-nitrophenyl) (CAS no. 863453-76-3) is a versatile compound with significant potential in chemical biology and drug development. Its unique structural features and reactivity make it a valuable tool for synthesizing complex molecules with therapeutic applications. As research continues to uncover new biological targets and synthetic strategies,1-Pyrrolidineethanamine, N-(4-nitrophenyl) is likely to play an increasingly important role in the discovery and development of novel pharmaceuticals.

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