Cas no 1499291-31-4 (2-(3-bromo-5-fluorophenyl)propan-1-amine)

2-(3-Bromo-5-fluorophenyl)propan-1-amine is a halogenated aromatic amine with a propylamine side chain, offering versatile reactivity for synthetic applications. The presence of both bromo and fluoro substituents on the phenyl ring enhances its utility as a building block in pharmaceutical and agrochemical synthesis, enabling selective functionalization via cross-coupling or nucleophilic substitution reactions. The primary amine group facilitates further derivatization, such as amide formation or reductive amination. Its stable structure and well-defined reactivity profile make it suitable for constructing complex molecular frameworks. This compound is particularly valuable in medicinal chemistry for the development of bioactive molecules due to its balanced electronic and steric properties.
2-(3-bromo-5-fluorophenyl)propan-1-amine structure
1499291-31-4 structure
Product Name:2-(3-bromo-5-fluorophenyl)propan-1-amine
CAS No:1499291-31-4
MF:C9H11BrFN
MW:232.092745065689
CID:6517975
PubChem ID:83712561
Update Time:2025-11-02

2-(3-bromo-5-fluorophenyl)propan-1-amine Chemical and Physical Properties

Names and Identifiers

    • 2-(3-bromo-5-fluorophenyl)propan-1-amine
    • EN300-1913149
    • 1499291-31-4
    • Inchi: 1S/C9H11BrFN/c1-6(5-12)7-2-8(10)4-9(11)3-7/h2-4,6H,5,12H2,1H3
    • InChI Key: KNWLRRJQDBQTLQ-UHFFFAOYSA-N
    • SMILES: BrC1=CC(=CC(=C1)C(C)CN)F

Computed Properties

  • Exact Mass: 231.00589g/mol
  • Monoisotopic Mass: 231.00589g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 143
  • 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: 2.4
  • Topological Polar Surface Area: 26?2

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Additional information on 2-(3-bromo-5-fluorophenyl)propan-1-amine

Comprehensive Guide to 2-(3-bromo-5-fluorophenyl)propan-1-amine (CAS No. 1499291-31-4): Properties, Applications, and Market Insights

The chemical compound 2-(3-bromo-5-fluorophenyl)propan-1-amine (CAS No. 1499291-31-4) is a specialized organic molecule that has garnered significant attention in pharmaceutical and agrochemical research. This amine derivative features a unique structural framework, combining a propan-1-amine backbone with a 3-bromo-5-fluorophenyl substituent. Its molecular formula is C9H11BrFN, and it exhibits a molecular weight of approximately 232.09 g/mol. Researchers are particularly interested in this compound due to its potential as a building block for more complex molecules in drug discovery and material science applications.

One of the most frequently asked questions about 2-(3-bromo-5-fluorophenyl)propan-1-amine relates to its synthetic routes and purification methods. The compound can be synthesized through multi-step organic reactions, often starting from commercially available 3-bromo-5-fluorobenzene derivatives. Recent advancements in green chemistry have led to more efficient synthetic protocols that reduce waste and improve yields. The purity of 1499291-31-4 is crucial for its applications, with HPLC and NMR being the primary analytical techniques for quality control.

The physicochemical properties of 2-(3-bromo-5-fluorophenyl)propan-1-amine make it particularly valuable in medicinal chemistry. The presence of both bromo and fluoro substituents on the aromatic ring enhances its potential as a pharmacophore in drug design. These halogen atoms can participate in key molecular interactions, potentially improving the binding affinity of drug candidates to biological targets. Current research trends show growing interest in using this compound as a precursor for CNS-active molecules, particularly in the development of novel neurological therapeutics.

In the context of market dynamics, the demand for 1499291-31-4 has been steadily increasing, especially from contract research organizations (CROs) and pharmaceutical companies engaged in small molecule drug discovery. The global market for such fine chemicals is expected to grow at a CAGR of 6-8% over the next five years, driven by the expanding pipeline of targeted therapies and personalized medicine approaches. Suppliers of 2-(3-bromo-5-fluorophenyl)propan-1-amine are focusing on improving scalability and cost-effectiveness to meet this rising demand.

From a regulatory perspective, CAS 1499291-31-4 is not currently listed on any major controlled substance inventories, making it accessible for legitimate research purposes. However, researchers must ensure proper handling according to standard laboratory safety protocols. The compound's storage conditions typically recommend protection from light and moisture at controlled temperatures to maintain stability over extended periods.

The analytical characterization of 2-(3-bromo-5-fluorophenyl)propan-1-amine reveals distinct spectral features that facilitate its identification. The 1H NMR spectrum shows characteristic signals for the aliphatic protons of the propan-1-amine chain and the aromatic protons of the substituted phenyl ring. Mass spectrometry typically displays a molecular ion peak consistent with its molecular weight, along with distinctive fragmentation patterns that aid in structural confirmation.

Emerging applications for 1499291-31-4 include its use in material science, particularly in the development of specialized polymeric materials with unique electronic properties. The electron-withdrawing nature of the bromo and fluoro substituents makes this compound interesting for creating conductive polymers with potential applications in organic electronics. This aligns with current industry trends toward sustainable materials and green technologies.

For researchers considering 2-(3-bromo-5-fluorophenyl)propan-1-amine for their projects, several sourcing considerations are important. The compound is typically available from specialized chemical suppliers in quantities ranging from milligrams to kilograms, with custom synthesis options for larger-scale requirements. Pricing varies depending on purity specifications and order volume, with current market prices ranging from $50-$200 per gram for research-grade material.

Looking toward the future, CAS 1499291-31-4 is positioned to play a significant role in advancing structure-activity relationship (SAR) studies across multiple therapeutic areas. Its versatility as a chemical intermediate makes it valuable for creating diverse molecular libraries in combinatorial chemistry approaches. As drug discovery paradigms continue to evolve toward more fragment-based design strategies, compounds like 2-(3-bromo-5-fluorophenyl)propan-1-amine will likely see increased utilization in hit-to-lead optimization programs.

In conclusion, 2-(3-bromo-5-fluorophenyl)propan-1-amine (CAS No. 1499291-31-4) represents an important chemical building block with diverse applications in pharmaceutical research and material science. Its unique structural features, combined with growing market demand and research interest, make it a compound worth watching in the coming years. Researchers are encouraged to explore its full potential while adhering to best practices in chemical safety and responsible research.

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