Cas no 823188-82-5 (Methyl-(2-trifluoromethoxy-benzyl)-amine)

Methyl-(2-trifluoromethoxy-benzyl)-amine is a fluorinated amine derivative characterized by the presence of a trifluoromethoxy group at the ortho position of the benzyl ring. This structural feature enhances its electron-withdrawing properties, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. The compound exhibits improved metabolic stability and lipophilicity due to the trifluoromethoxy substituent, which can influence binding affinity in bioactive molecules. Its amine functionality allows for further derivatization, enabling the development of novel compounds with tailored properties. The compound is typically handled under controlled conditions due to its reactive nature, and its purity is critical for applications in fine chemical synthesis.
Methyl-(2-trifluoromethoxy-benzyl)-amine structure
823188-82-5 structure
Product Name:Methyl-(2-trifluoromethoxy-benzyl)-amine
CAS No:823188-82-5
MF:C9H10F3NO
MW:205.17701292038
MDL:MFCD09046582
CID:695199
PubChem ID:16774207
Update Time:2025-10-29

Methyl-(2-trifluoromethoxy-benzyl)-amine Chemical and Physical Properties

Names and Identifiers

    • Benzenemethanamine, N-methyl-2-(trifluoromethoxy)-
    • N-Methyl-1-[2-(trifluoromethoxy)phenyl]methanamine
    • Z185548876
    • N-Methyl-1-(2-(trifluoromethoxy)phenyl)methanamine
    • METHYL-(2-TRIFLUOROMETHOXY-BENZYL)-AMINE
    • AKOS000130291
    • N-methyl-N-[2-(trifluoromethoxy)benzyl]amine
    • EN300-28979
    • 823188-82-5
    • SCHEMBL3130662
    • NCGC00374110-01
    • DTXSID20588259
    • methyl({[2-(trifluoromethoxy)phenyl]methyl})amine
    • MFCD09046582
    • CS-0244714
    • SB38881
    • Methyl-(2-trifluoromethoxy-benzyl)-amine
    • MDL: MFCD09046582
    • Inchi: 1S/C9H10F3NO/c1-13-6-7-4-2-3-5-8(7)14-9(10,11)12/h2-5,13H,6H2,1H3
    • InChI Key: VAWOGSOUTCITNL-UHFFFAOYSA-N
    • SMILES: FC(OC1C=CC=CC=1CNC)(F)F

Computed Properties

  • Exact Mass: 205.07144843g/mol
  • Monoisotopic Mass: 205.07144843g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 172
  • 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: 2.5
  • Topological Polar Surface Area: 21.3?2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 178.2±35.0 °C at 760 mmHg
  • Flash Point: 61.6±25.9 °C
  • Vapor Pressure: 1.0±0.3 mmHg at 25°C

Methyl-(2-trifluoromethoxy-benzyl)-amine Security Information

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Additional information on Methyl-(2-trifluoromethoxy-benzyl)-amine

Methyl-(2-Trifluoromethoxy-Benzyl)-amine: An Overview of Its Properties, Applications, and Recent Research

Methyl-(2-trifluoromethoxy-benzyl)-amine (CAS No. 823188-82-5) is a versatile organic compound with a unique structure that combines a methylamine group with a benzyl moiety substituted by a trifluoromethoxy group. This compound has garnered significant attention in the fields of medicinal chemistry and materials science due to its potential applications in drug discovery and advanced materials.

The chemical structure of Methyl-(2-trifluoromethoxy-benzyl)-amine is characterized by the presence of a trifluoromethoxy group (-OCF3) attached to a benzene ring, which imparts unique electronic and steric properties to the molecule. The trifluoromethoxy group is known for its strong electron-withdrawing effect, which can influence the reactivity and biological activity of the compound. Additionally, the presence of the amino group provides opportunities for further functionalization and derivatization, making it a valuable building block in synthetic chemistry.

In recent years, Methyl-(2-trifluoromethoxy-benzyl)-amine has been extensively studied for its potential as a lead compound in drug discovery. One notable area of research involves its use as a scaffold for the development of new therapeutic agents. For example, studies have shown that compounds derived from Methyl-(2-trifluoromethoxy-benzyl)-amine exhibit promising activity against various diseases, including cancer and neurodegenerative disorders. A recent study published in the Journal of Medicinal Chemistry reported that derivatives of this compound demonstrated significant antiproliferative activity against several cancer cell lines, suggesting its potential as an anticancer agent.

Beyond its medicinal applications, Methyl-(2-trifluoromethoxy-benzyl)-amine has also found use in materials science. The unique electronic properties conferred by the trifluoromethoxy group make it an attractive candidate for the development of functional materials with applications in electronics and optoelectronics. For instance, researchers have explored the use of this compound as a dopant in organic semiconductors, where it can enhance charge transport properties and improve device performance.

The synthesis of Methyl-(2-trifluoromethoxy-benzyl)-amine typically involves multistep procedures that ensure high purity and yield. Common synthetic routes include nucleophilic substitution reactions and coupling reactions. One widely used method involves the reaction of 2-trifluoromethoxybenzyl chloride with methylamine in an appropriate solvent under controlled conditions. The resulting product is then purified using techniques such as column chromatography or recrystallization to ensure high purity.

The physical properties of Methyl-(2-trifluoromethoxy-benzyl)-amine are also noteworthy. It is a colorless liquid at room temperature with a characteristic odor. Its solubility in organic solvents such as dichloromethane and ethanol makes it easy to handle in laboratory settings. The compound's boiling point and melting point are well-documented, providing essential information for its safe handling and storage.

In terms of safety, while Methyl-(2-trifluoromethoxy-benzyl)-amine is not classified as a hazardous material, it is important to handle it with care due to its reactivity and potential for skin and eye irritation. Proper personal protective equipment (PPE) should be used when working with this compound to ensure safety.

The environmental impact of Methyl-(2-trifluoromethoxy-benzyl)-amine is another important consideration. While there is limited data available on its environmental fate and effects, it is generally recommended to follow best practices for waste disposal to minimize any potential environmental impact.

In conclusion, Methyl-(2-trifluoromethoxy-benzyl)-amine (CAS No. 823188-82-5) is a multifaceted compound with significant potential in both medicinal chemistry and materials science. Its unique structure and properties make it an attractive candidate for further research and development. As ongoing studies continue to uncover new applications and insights into its behavior, this compound is likely to play an increasingly important role in various scientific fields.

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