Cas no 1000564-47-5 (3-(4-fluoro-3-nitrophenyl)propan-1-amine)

3-(4-Fluoro-3-nitrophenyl)propan-1-amine is a fluorinated aromatic amine derivative with a nitro substituent, offering versatile reactivity in organic synthesis. Its structure combines an electron-withdrawing nitro group and a fluorine atom, enhancing its utility in nucleophilic substitution and reduction reactions. The propylamine side chain provides flexibility for further functionalization, making it a valuable intermediate in pharmaceutical and agrochemical applications. The compound’s stability and well-defined reactivity profile ensure consistent performance in multi-step syntheses. Its purity and structural specificity make it suitable for precision applications, including the development of bioactive molecules and advanced materials.
3-(4-fluoro-3-nitrophenyl)propan-1-amine structure
1000564-47-5 structure
Product Name:3-(4-fluoro-3-nitrophenyl)propan-1-amine
CAS No:1000564-47-5
MF:C9H11FN2O2
MW:198.194245576859
CID:6545974
PubChem ID:55268253
Update Time:2025-05-21

3-(4-fluoro-3-nitrophenyl)propan-1-amine Chemical and Physical Properties

Names and Identifiers

    • 3-(4-fluoro-3-nitrophenyl)propan-1-amine
    • AKOS006314947
    • 1000564-47-5
    • EN300-1830530
    • Inchi: 1S/C9H11FN2O2/c10-8-4-3-7(2-1-5-11)6-9(8)12(13)14/h3-4,6H,1-2,5,11H2
    • InChI Key: AAXPCMKOMJVVDR-UHFFFAOYSA-N
    • SMILES: FC1C=CC(=CC=1[N+](=O)[O-])CCCN

Computed Properties

  • Exact Mass: 198.08045576g/mol
  • Monoisotopic Mass: 198.08045576g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 196
  • 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: 1.5
  • Topological Polar Surface Area: 71.8?2

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Additional information on 3-(4-fluoro-3-nitrophenyl)propan-1-amine

Comprehensive Overview of 3-(4-fluoro-3-nitrophenyl)propan-1-amine (CAS No. 1000564-47-5): Properties, Applications, and Industry Insights

3-(4-fluoro-3-nitrophenyl)propan-1-amine (CAS No. 1000564-47-5) is a specialized organic compound gaining attention in pharmaceutical and agrochemical research due to its unique structural features. This fluoro-nitrophenyl derivative combines a propan-1-amine backbone with a nitro-substituted aromatic ring, making it a versatile intermediate for synthesizing bioactive molecules. Researchers are particularly interested in its potential as a building block for drug discovery, especially in developing kinase inhibitors and antimicrobial agents.

The compound's molecular structure (C9H11FN2O2) features a fluorine atom at the para position and a nitro group at the meta position of the phenyl ring, which significantly influences its electronic properties and reactivity. These characteristics make it valuable for structure-activity relationship (SAR) studies in medicinal chemistry. Recent publications highlight its use in creating targeted therapies for various diseases, aligning with the growing trend of precision medicine in healthcare.

From a synthetic chemistry perspective, 3-(4-fluoro-3-nitrophenyl)propan-1-amine serves as a crucial intermediate in multi-step organic synthesis. Its amine functionality allows for easy derivatization through amide formation or reductive amination, while the nitro group can be reduced to an amino group for further modifications. This flexibility addresses the pharmaceutical industry's need for diverse chemical scaffolds in high-throughput screening programs.

Environmental and green chemistry considerations have prompted investigations into sustainable production methods for this compound. Researchers are exploring catalytic processes and solvent-free reactions to minimize waste generation, responding to the chemical industry's shift toward eco-friendly manufacturing. The compound's stability under various conditions also makes it suitable for long-term storage and global distribution, important factors for international research collaborations.

Analytical characterization of CAS No. 1000564-47-5 typically involves advanced techniques such as HPLC-MS, NMR spectroscopy, and X-ray crystallography. Quality control protocols emphasize purity assessment due to its application in biological testing. The compound's spectral data and physicochemical properties (including melting point, solubility, and partition coefficient) are well-documented in scientific literature, facilitating its adoption by research teams worldwide.

Emerging applications of 3-(4-fluoro-3-nitrophenyl)propan-1-amine extend to material science, where its aromatic amine structure contributes to developing advanced polymers and functional coatings. The electron-withdrawing nitro group and fluorine substitution pattern offer unique opportunities for creating materials with tailored electronic properties, relevant to organic electronics and sensor technologies.

Safety assessments indicate that proper handling procedures should be followed when working with this compound, including the use of personal protective equipment and adequate ventilation. While not classified as highly hazardous, standard laboratory precautions for nitroaromatic compounds apply. These safety considerations align with the pharmaceutical industry's increasing focus on occupational health and process safety in research and development.

The commercial availability of 3-(4-fluoro-3-nitrophenyl)propan-1-amine from specialty chemical suppliers has increased significantly in recent years, reflecting growing demand from contract research organizations and academic institutions. Pricing trends and supply chain dynamics for this intermediate are influenced by factors such as raw material availability and regulatory requirements in different markets.

Future research directions for this compound include exploring its potential in bioconjugation chemistry and developing more efficient synthetic routes. The scientific community continues to investigate its structure-property relationships to unlock new applications in life sciences and advanced materials. As the demand for specialty chemical intermediates grows, compounds like 3-(4-fluoro-3-nitrophenyl)propan-1-amine will play increasingly important roles in innovation across multiple industries.

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