Cas no 117324-58-0 (Methyl 2-amino-5-(trifluoromethyl)benzoate)

Methyl 2-amino-5-(trifluoromethyl)benzoate structure
117324-58-0 structure
Product Name:Methyl 2-amino-5-(trifluoromethyl)benzoate
CAS No:117324-58-0
MF:C9H8F3NO2
MW:219.160532951355
MDL:MFCD08234902
CID:132712
PubChem ID:14233808
Update Time:2025-07-23

Methyl 2-amino-5-(trifluoromethyl)benzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 2-amino-5-(trifluoromethyl)benzoate
    • 2-amino-5-(trifluoromethyl)Benzoic acid methyl ester
    • Benzoic acid,2-amino-5-(trifluoromethyl)-, methyl ester
    • methyl 2-Amino-5-trifluoromethylbenzoate
    • methyl 5-trifluoromethyl-2-aminobenzoate
    • Methyl 2-amino-5-(trifluoromethyl)
    • Methyl2-amino-5-(trifluoromethyl)benzoate
    • Benzoic acid, 2-amino-5-(trifluoromethyl)-, methyl ester
    • Benzoicacid,2-amino-5-(trifluoromethyl)-,methylester
    • QGFUDNJZHZNPCS-UHFFFAOYSA-N
    • CM12441
    • MB05847
    • AM83156
    • methyl 2-amino-5-trifluoromethyl benzoate
    • DTXSID90557775
    • AC-7673
    • A2418
    • GS-4102
    • FT-0649713
    • CS-W018625
    • MFCD08234902
    • 117324-58-0
    • AKOS005146122
    • SCHEMBL1139411
    • EN300-120884
    • SY045507
    • DB-060996
    • Methyl 5-trifluoromethylanthranilate;
    • 823-275-6
    • FA70066
    • DTXCID60508557
    • MDL: MFCD08234902
    • Inchi: 1S/C9H8F3NO2/c1-15-8(14)6-4-5(9(10,11)12)2-3-7(6)13/h2-4H,13H2,1H3
    • InChI Key: QGFUDNJZHZNPCS-UHFFFAOYSA-N
    • SMILES: FC(C1C=CC(=C(C(=O)OC)C=1)N)(F)F

Computed Properties

  • Exact Mass: 219.05100
  • Monoisotopic Mass: 219.05071298g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 242
  • 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: 2.8
  • Topological Polar Surface Area: 52.3

Experimental Properties

  • Density: 1.343±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 51-52 oC
  • Boiling Point: 265.9±40.0 oC (760 Torr),
  • Flash Point: 114.6±27.3 oC,
  • Refractive Index: 1.491
  • Solubility: Very slightly soluble (0.24 g/l) (25 o C),
  • PSA: 52.32000
  • LogP: 2.65540

Methyl 2-amino-5-(trifluoromethyl)benzoate Customs Data

  • HS CODE:2922499990
  • Customs Data:

    China Customs Code:

    2922499990

    Overview:

    2922499990 Other amino acids and their esters and their salts(Except those containing more than one oxygen-containing group). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods) MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, The color of ethanolamine and its salt should be reported, The package of ethanolamine and its salt shall be declared

    Regulatory conditions:

    A.Customs clearance form for Inbound Goods
    B.Customs clearance form for outbound goods

    Inspection and quarantine category:

    P.Imported animals and plants\Quarantine of animal and plant products
    Q.Outbound animals and plants\Quarantine of animal and plant products
    R.Sanitary supervision and inspection of imported food
    S.Sanitary supervision and inspection of exported food
    M.Import commodity inspection
    N.Export commodity inspection

    Summary:

    HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%

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Methyl 2-amino-5-(trifluoromethyl)benzoate Production Method

Additional information on Methyl 2-amino-5-(trifluoromethyl)benzoate

Recent Advances in the Application of Methyl 2-amino-5-(trifluoromethyl)benzoate (CAS: 117324-58-0) in Chemical Biology and Pharmaceutical Research

Methyl 2-amino-5-(trifluoromethyl)benzoate (CAS: 117324-58-0) is a fluorinated aromatic compound that has garnered significant attention in recent years due to its versatile applications in chemical biology and pharmaceutical research. This compound, characterized by the presence of a trifluoromethyl group and an ester functionality, serves as a key intermediate in the synthesis of various bioactive molecules. Recent studies have highlighted its potential in drug discovery, particularly in the development of novel therapeutic agents targeting inflammatory diseases, cancer, and infectious diseases.

One of the most notable advancements in the use of Methyl 2-amino-5-(trifluoromethyl)benzoate is its role in the synthesis of small-molecule inhibitors. A 2023 study published in the Journal of Medicinal Chemistry demonstrated its utility in the design of potent inhibitors for protein kinases involved in cancer progression. The trifluoromethyl group was found to enhance the binding affinity of these inhibitors by forming favorable interactions with hydrophobic pockets in the target proteins. This discovery opens new avenues for the development of targeted therapies with improved efficacy and reduced off-target effects.

In addition to its applications in oncology, Methyl 2-amino-5-(trifluoromethyl)benzoate has also been explored as a building block for antimicrobial agents. A recent study in Bioorganic & Medicinal Chemistry Letters reported the synthesis of a series of derivatives exhibiting broad-spectrum activity against drug-resistant bacterial strains. The incorporation of the trifluoromethyl group was shown to improve the metabolic stability of these compounds, addressing a common challenge in antibiotic development. These findings underscore the potential of this compound in addressing the global threat of antimicrobial resistance.

Another area of active research involves the use of Methyl 2-amino-5-(trifluoromethyl)benzoate in the development of imaging probes for biomedical applications. Researchers have leveraged its unique physicochemical properties to design fluorescent and radiolabeled probes for real-time monitoring of biological processes. For instance, a 2022 study in Chemical Communications described the synthesis of a near-infrared fluorescent probe based on this compound, which was successfully used to visualize tumor margins during surgical procedures. Such innovations highlight the compound's versatility beyond traditional drug discovery.

Despite these promising developments, challenges remain in the large-scale synthesis and optimization of Methyl 2-amino-5-(trifluoromethyl)benzoate derivatives. Recent efforts have focused on improving synthetic routes to enhance yield and purity while minimizing environmental impact. Green chemistry approaches, such as catalytic trifluoromethylation and solvent-free reactions, are being explored to address these challenges. A 2023 review in Advanced Synthesis & Catalysis summarized these advancements, providing a roadmap for future research in this area.

In conclusion, Methyl 2-amino-5-(trifluoromethyl)benzoate (CAS: 117324-58-0) continues to be a valuable tool in chemical biology and pharmaceutical research. Its unique structural features enable the development of diverse bioactive molecules with potential applications in drug discovery, antimicrobial therapy, and biomedical imaging. Ongoing research efforts aim to further elucidate its mechanistic roles and optimize its derivatives for clinical translation. As the field advances, this compound is expected to play an increasingly important role in addressing unmet medical needs.

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