Cas no 2229543-44-4 (3-(5-bromopyridin-3-yl)butan-1-amine)

3-(5-Bromopyridin-3-yl)butan-1-amine is a brominated pyridine derivative with a butylamine side chain, offering versatile utility in pharmaceutical and agrochemical synthesis. Its structural features, including the electron-withdrawing bromo substituent and the flexible amine-terminated alkyl chain, make it a valuable intermediate for constructing complex heterocyclic frameworks. The compound’s reactivity enables selective functionalization at the pyridine ring or the amine group, facilitating applications in cross-coupling reactions, nucleophilic substitutions, and ligand design. Its purity and stability under standard conditions ensure reliable performance in research and industrial settings. This intermediate is particularly useful in medicinal chemistry for developing bioactive molecules targeting CNS and antimicrobial agents.
3-(5-bromopyridin-3-yl)butan-1-amine structure
2229543-44-4 structure
Product Name:3-(5-bromopyridin-3-yl)butan-1-amine
CAS No:2229543-44-4
MF:C9H13BrN2
MW:229.116921186447
CID:6403064
PubChem ID:165797085
Update Time:2025-06-30

3-(5-bromopyridin-3-yl)butan-1-amine Chemical and Physical Properties

Names and Identifiers

    • 3-(5-bromopyridin-3-yl)butan-1-amine
    • EN300-1906843
    • 2229543-44-4
    • Inchi: 1S/C9H13BrN2/c1-7(2-3-11)8-4-9(10)6-12-5-8/h4-7H,2-3,11H2,1H3
    • InChI Key: AVVVPBRZAMYTHO-UHFFFAOYSA-N
    • SMILES: BrC1=CN=CC(=C1)C(C)CCN

Computed Properties

  • Exact Mass: 228.02621g/mol
  • Monoisotopic Mass: 228.02621g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 130
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.5
  • Topological Polar Surface Area: 38.9?2

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3-(5-bromopyridin-3-yl)butan-1-amine Related Literature

Additional information on 3-(5-bromopyridin-3-yl)butan-1-amine

3-(5-Bromopyridin-3-yl)butan-1-amine (CAS No: 2229543-44-4)

3-(5-Bromopyridin-3-yl)butan-1-amine, a compound with the CAS number 2229543-44-4, is an intriguing organic molecule that has garnered attention in the fields of organic chemistry and pharmacology. This compound, characterized by its unique structure, combines a pyridine ring substituted with a bromine atom at the 5-position and an aminoalkyl chain, offers a versatile platform for exploring its chemical properties and potential applications.

The molecular structure of 3-(5-Bromopyridin-3-yl)butan-1-amine is defined by its pyridine ring, which is a six-membered aromatic ring containing one nitrogen atom. The bromine substitution at the 5-position introduces electronic effects that can influence the compound's reactivity and stability. The butanamine chain attached to the pyridine ring adds further functional diversity, enabling this molecule to participate in various chemical reactions and interactions.

Recent studies have highlighted the importance of pyridine derivatives in medicinal chemistry due to their ability to modulate biological processes. The presence of the bromine atom in 3-(5-Bromopyridin-3-yl)butan-1-amine introduces unique electronic properties that can enhance its binding affinity to specific biological targets, making it a promising candidate for drug development.

One of the key areas of research involving 3-(5-Bromopyridin-3-yl)butan-1-amines is its potential as a building block in synthesizing more complex molecules with therapeutic applications. The compound's structure allows for further functionalization, enabling chemists to explore its role in creating bioactive agents targeting various diseases.

Moreover, the synthesis of 3-(5-Bromopyridin-3-y)butanamine has been optimized through advanced methodologies, ensuring higher yields and purities. These improvements are crucial for scaling up production, which is essential for preclinical and clinical studies.

In terms of pharmacokinetics, pyridine-containing compounds like 3-(5-Bromopyridin-3-y)butanamine exhibit favorable absorption profiles, which are critical for their effectiveness as potential drugs. Their ability to cross biological membranes efficiently enhances their bioavailability, making them attractive candidates for drug delivery systems.

The application of computational chemistry tools has provided deeper insights into the molecular interactions of 3-(5-Bromopyridin-3-y)butanamine with biological targets. These studies have revealed potential binding modes and mechanisms that could guide future drug design efforts.

Furthermore, the environmental impact of synthesizing and using pyridine derivatives has become a focus of research. Understanding their degradation pathways and ecological effects is essential for developing sustainable chemical practices.

In conclusion, 3-(5-Bromopyridin-3-y)butanamine (CAS No: 2229543–44–4) stands out as a significant compound with diverse applications in organic synthesis and pharmacology. Its unique structure and promising properties make it a valuable subject for ongoing research aimed at advancing drug discovery and development.

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