Cas no 90390-28-6 (N-(3,5-Difluorobenzyl)-N-methylamine)

N-(3,5-Difluorobenzyl)-N-methylamine is a fluorinated aromatic amine derivative characterized by its unique structural features, including a difluorobenzyl group and a methylamine substituent. This compound is valued in synthetic chemistry for its role as a versatile intermediate in pharmaceutical and agrochemical applications. The presence of fluorine atoms enhances its reactivity and metabolic stability, making it useful for designing bioactive molecules. Its well-defined molecular structure allows for precise modifications in drug discovery and material science. The compound is typically handled under controlled conditions due to its reactivity, ensuring consistent performance in synthetic pathways. High purity grades are available to meet rigorous research and industrial requirements.
N-(3,5-Difluorobenzyl)-N-methylamine structure
90390-28-6 structure
Product Name:N-(3,5-Difluorobenzyl)-N-methylamine
CAS No:90390-28-6
MF:C8H9F2N
MW:157.16056895256
CID:1075215
PubChem ID:457611
Update Time:2025-05-21

N-(3,5-Difluorobenzyl)-N-methylamine Chemical and Physical Properties

Names and Identifiers

    • N-(3,5-Difluorobenzyl)-N-methylamine
    • TS-02088
    • 1-(3,5-difluorophenyl)-N-methyl-methanamine
    • [(3,5-difluorophenyl)methyl](methyl)amine
    • MFCD11212394
    • DTXSID80238147
    • CHEMBL1178125
    • AKOS009345084
    • AT36932
    • Benzenemethanamine, 3,5-difluoro-N-methyl-
    • 90390-28-6
    • 1-(3,5-difluorophenyl)-N-methylmethanamine
    • SCHEMBL3350251
    • EN300-181495
    • DB-230926
    • MDL: MFCD11212394
    • Inchi: 1S/C8H9F2N/c1-11-5-6-2-7(9)4-8(10)3-6/h2-4,11H,5H2,1H3
    • InChI Key: PAVCYIWPONYGCE-UHFFFAOYSA-N
    • SMILES: FC1C=C(C=C(C=1)CNC)F

Computed Properties

  • Exact Mass: 157.070306
  • Monoisotopic Mass: 157.070306
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 109
  • 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
  • Topological Polar Surface Area: 12
  • XLogP3: 1.5

Experimental Properties

  • Density: 1.1±0.1 g/cm3
  • Melting Point: NA
  • Boiling Point: 161.5±25.0 °C at 760 mmHg
  • Flash Point: 51.5±23.2 °C
  • Refractive Index: 1.476
  • Vapor Pressure: 2.3±0.3 mmHg at 25°C

N-(3,5-Difluorobenzyl)-N-methylamine Security Information

N-(3,5-Difluorobenzyl)-N-methylamine Pricemore >>

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Additional information on N-(3,5-Difluorobenzyl)-N-methylamine

Comprehensive Overview of N-(3,5-Difluorobenzyl)-N-methylamine (CAS No. 90390-28-6)

N-(3,5-Difluorobenzyl)-N-methylamine (CAS No. 90390-28-6) is a specialized organic compound widely utilized in pharmaceutical research, agrochemical development, and material science. Its unique structural features, including the difluorobenzyl moiety and methylamine group, make it a valuable intermediate for synthesizing bioactive molecules. This compound has garnered significant attention due to its potential applications in drug discovery, particularly in targeting central nervous system (CNS) disorders and enzyme inhibition.

In recent years, the demand for fluorinated aromatic amines like N-(3,5-Difluorobenzyl)-N-methylamine has surged, driven by the growing interest in precision medicine and sustainable chemistry. Researchers are actively exploring its role in designing next-generation therapeutics, especially for conditions such as neurodegenerative diseases and metabolic syndromes. The compound's lipophilicity and electron-withdrawing properties contribute to its enhanced bioavailability, a critical factor in modern drug formulation.

From a synthetic perspective, CAS No. 90390-28-6 is often employed in cross-coupling reactions and reductive amination processes. Its difluorobenzyl scaffold is particularly advantageous for introducing fluorine atoms into target molecules, a strategy increasingly adopted to improve drug stability and receptor binding affinity. Industry professionals frequently search for high-purity N-(3,5-Difluorobenzyl)-N-methylamine suppliers, reflecting its importance in GMP-compliant manufacturing.

Environmental and regulatory considerations also play a pivotal role in the compound's applications. With the rise of green chemistry initiatives, researchers are optimizing synthetic routes for N-(3,5-Difluorobenzyl)-N-methylamine to minimize waste and energy consumption. Questions like "How to scale up N-(3,5-Difluorobenzyl)-N-methylamine synthesis?" or "What are the alternatives to traditional purification methods?" are frequently discussed in academic forums, highlighting the compound's relevance in process chemistry.

Analytical characterization of CAS No. 90390-28-6 typically involves advanced techniques such as HPLC-MS and NMR spectroscopy, ensuring compliance with pharmaceutical-grade standards. The compound's spectral data and chromatographic profiles are well-documented, aiding in quality control for industrial applications. Additionally, its stability under various storage conditions is a key consideration for logistics and supply chain management.

In summary, N-(3,5-Difluorobenzyl)-N-methylamine represents a critical building block in contemporary chemical research. Its versatility in medicinal chemistry, combined with its alignment with sustainable practices, positions it as a compound of enduring significance. As the scientific community continues to explore fluorine-containing compounds, this molecule is poised to remain at the forefront of innovation in life sciences and industrial chemistry.

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