Cas no 1206680-26-3 (Methyl 4-amino-2-fluoro-3-methylbenzoate)

Methyl 4-amino-2-fluoro-3-methylbenzoate is a fluorinated aromatic ester with a molecular formula of C9H10FNO2. This compound features a methyl ester group at the 1-position, an amino group at the 4-position, and a fluorine substituent at the 2-position, along with a methyl group at the 3-position. Its structural properties make it a valuable intermediate in pharmaceutical and agrochemical synthesis, particularly in the development of active ingredients requiring fluorinated aromatic scaffolds. The presence of both electron-donating (amino) and electron-withdrawing (fluoro) groups enhances its reactivity in selective substitution and coupling reactions. It is typically supplied as a high-purity solid, ensuring consistent performance in synthetic applications.
Methyl 4-amino-2-fluoro-3-methylbenzoate structure
1206680-26-3 structure
Product Name:Methyl 4-amino-2-fluoro-3-methylbenzoate
CAS No:1206680-26-3
MF:C9H10FNO2
MW:183.179605960846
MDL:MFCD13184288
CID:1011141
PubChem ID:44558845
Update Time:2025-06-13

Methyl 4-amino-2-fluoro-3-methylbenzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 4-amino-2-fluoro-3-methylbenzoate
    • 4-Amino-2-fluoro-3-methyl-benzoic acid methyl ester
    • Benzoic acid, 4-aMino-2-fluoro-3-Methyl-, Methyl ester
    • A804554
    • 4-amino-2-fluoro-3-methylbenzoic acid methyl ester
    • SB31722
    • AKOS015916860
    • AS-69632
    • W18688
    • EN300-174648
    • MFCD13184288
    • DB-297998
    • AMY28065
    • SCHEMBL16077594
    • Z1255420935
    • methyl4-amino-2-fluoro-3-methylbenzoate
    • DTXSID00659476
    • 1206680-26-3
    • CS-0098634
    • MDL: MFCD13184288
    • Inchi: 1S/C9H10FNO2/c1-5-7(11)4-3-6(8(5)10)9(12)13-2/h3-4H,11H2,1-2H3
    • InChI Key: ZUJJTDMBGBYZPD-UHFFFAOYSA-N
    • SMILES: FC1=C(C(=O)OC)C=CC(=C1C)N

Computed Properties

  • Exact Mass: 183.06955672g/mol
  • Monoisotopic Mass: 183.06955672g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 198
  • 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: 1.6
  • Topological Polar Surface Area: 52.3?2

Experimental Properties

  • Density: 1.220±0.06 g/cm3 (20 oC 760 Torr),
  • Solubility: Very slightly soluble (0.73 g/l) (25 o C),

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Additional information on Methyl 4-amino-2-fluoro-3-methylbenzoate

Comprehensive Overview of Methyl 4-amino-2-fluoro-3-methylbenzoate (CAS No. 1206680-26-3)

Methyl 4-amino-2-fluoro-3-methylbenzoate (CAS No. 1206680-26-3) is a specialized organic compound widely recognized for its applications in pharmaceutical intermediates and fine chemical synthesis. This compound, characterized by its fluoro and amino functional groups, has garnered significant attention in recent years due to its role in the development of novel bioactive molecules. Researchers and industry professionals frequently search for terms like "synthesis of Methyl 4-amino-2-fluoro-3-methylbenzoate", "CAS 1206680-26-3 applications", and "fluoro-substituted benzoate derivatives", reflecting its growing relevance in synthetic chemistry.

The molecular structure of Methyl 4-amino-2-fluoro-3-methylbenzoate features a benzoate core with strategic substitutions, including a methyl ester group at the 1-position, an amino group at the 4-position, and a fluoro atom at the 2-position. These modifications enhance its reactivity and make it a valuable building block for constructing complex molecules. Recent studies highlight its utility in drug discovery, particularly in the design of kinase inhibitors and antimicrobial agents. Searches such as "Methyl 4-amino-2-fluoro-3-methylbenzoate in drug development" and "CAS 1206680-26-3 solubility" underscore the compound's versatility.

In the context of green chemistry, Methyl 4-amino-2-fluoro-3-methylbenzoate has been explored as a substrate for eco-friendly catalytic processes. The demand for sustainable synthetic methods has led to increased interest in keywords like "green synthesis of fluorinated benzoates" and "CAS 1206680-26-3 environmental impact". Its compatibility with biocatalysts and microwave-assisted reactions further positions it as a candidate for modern, efficient chemical manufacturing.

Analytical techniques such as HPLC, NMR, and mass spectrometry are routinely employed to characterize Methyl 4-amino-2-fluoro-3-methylbenzoate, ensuring high purity and consistency for research and industrial use. Queries like "CAS 1206680-26-3 NMR data" and "HPLC methods for Methyl 4-amino-2-fluoro-3-methylbenzoate" are common among chemists seeking precise analytical protocols. The compound's stability under various conditions also makes it a reliable choice for long-term storage and transportation.

Beyond pharmaceuticals, Methyl 4-amino-2-fluoro-3-methylbenzoate finds applications in material science, particularly in the synthesis of advanced polymers and coatings. Its fluorine content contributes to unique material properties, such as enhanced thermal stability and chemical resistance. This has spurred searches for "fluoro-benzoate polymers" and "CAS 1206680-26-3 in material engineering", highlighting its cross-disciplinary utility.

In summary, Methyl 4-amino-2-fluoro-3-methylbenzoate (CAS No. 1206680-26-3) is a multifaceted compound with broad applications in pharmaceuticals, green chemistry, and materials science. Its unique structural features and adaptability to modern synthetic methods make it a subject of ongoing research and industrial innovation. As interest in fluorinated compounds and sustainable chemistry grows, this compound is poised to remain a key player in scientific advancements.

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