Cas no 529512-81-0 (2-Fluoro-6-methoxybenzamide)

2-Fluoro-6-methoxybenzamide is a fluorinated benzamide derivative with potential applications in pharmaceutical and agrochemical research. Its structure, featuring both fluorine and methoxy substituents, enhances its reactivity and binding affinity, making it a valuable intermediate in synthetic chemistry. The fluorine atom contributes to increased metabolic stability and bioavailability, while the methoxy group can influence electronic and steric properties. This compound is particularly useful in the development of bioactive molecules, including kinase inhibitors and other therapeutic agents. Its well-defined purity and consistent synthesis ensure reliability for research and industrial use. Proper handling and storage are recommended to maintain stability.
2-Fluoro-6-methoxybenzamide structure
2-Fluoro-6-methoxybenzamide structure
Product Name:2-Fluoro-6-methoxybenzamide
CAS No:529512-81-0
MF:C8H8FNO2
MW:169.153025627136
MDL:MFCD00277474
CID:826077
PubChem ID:579738
Update Time:2025-05-23

2-Fluoro-6-methoxybenzamide Chemical and Physical Properties

Names and Identifiers

    • 2-Fluoro-6-methoxybenzamide
    • CS-0127691
    • 529512-81-0
    • MFCD00277474
    • DTXSID70342207
    • FS-2084
    • AKOS005257839
    • 2-methoxy-6-fluorobenzamide
    • Benzamide, 2-fluoro-6-methoxy-
    • BDJNFURQDZEPLK-UHFFFAOYSA-N
    • C78284
    • 2-Fluoro-6-methoxy-benzamide
    • SCHEMBL4921124
    • 2-Fluoro-6-methoxybenzamide #
    • J-509489
    • DB-021285
    • MDL: MFCD00277474
    • Inchi: 1S/C8H8FNO2/c1-12-6-4-2-3-5(9)7(6)8(10)11/h2-4H,1H3,(H2,10,11)
    • InChI Key: BDJNFURQDZEPLK-UHFFFAOYSA-N
    • SMILES: FC1=CC=CC(=C1C(N)=O)OC

Computed Properties

  • Exact Mass: 169.05400
  • Monoisotopic Mass: 169.05390666g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 174
  • 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: 0.1
  • Topological Polar Surface Area: 52.3?2

Experimental Properties

  • Melting Point: 190-194℃
  • PSA: 52.32000
  • LogP: 1.63350

2-Fluoro-6-methoxybenzamide Security Information

  • Hazard Statement: Irritant
  • Hazardous Material Identification: Xi

2-Fluoro-6-methoxybenzamide Pricemore >>

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Additional information on 2-Fluoro-6-methoxybenzamide

2-Fluoro-6-Methoxybenzamide (CAS No. 529512-81-0): A Comprehensive Overview

2-Fluoro-6-methoxybenzamide, also known by its CAS number 529512-81-0, is a chemical compound that has garnered significant attention in the fields of organic chemistry and materials science. This compound is characterized by its unique structure, which includes a benzamide group substituted with a fluoro and methoxy group at the 2 and 6 positions, respectively. The combination of these substituents imparts distinct electronic and steric properties to the molecule, making it a valuable component in various chemical applications.

The synthesis of 2-fluoro-6-methoxybenzamide involves a series of well-established organic reactions. Typically, the process begins with the preparation of the corresponding benzene derivative, followed by substitution reactions to introduce the fluoro and methoxy groups. The final step involves the amidation process, where an amide group is introduced to complete the structure. This multi-step synthesis highlights the importance of precise reaction conditions and reagent selection to ensure high yield and purity of the final product.

Recent advancements in synthetic chemistry have led to more efficient methods for producing 2-fluoro-6-methoxybenzamide. For instance, researchers have explored the use of microwave-assisted synthesis, which significantly reduces reaction times while maintaining product quality. Additionally, green chemistry principles have been integrated into the synthesis process, minimizing waste and environmental impact. These developments underscore the commitment to sustainable practices in modern chemical manufacturing.

The physical properties of 2-fluoro-6-methoxybenzamide are critical for its application in various industries. The compound exhibits a melting point of approximately 180°C, making it suitable for thermal stability applications. Its solubility in common organic solvents such as dichloromethane and ethyl acetate facilitates its use in solution-based reactions. Furthermore, the presence of electron-withdrawing groups like fluoro and methoxy enhances the compound's reactivity in nucleophilic substitutions, making it a versatile building block in organic synthesis.

One of the most promising applications of 2-fluoro-6-methoxybenzamide lies in its role as an intermediate in pharmaceutical development. The compound's ability to act as a bioisostere provides researchers with a valuable tool for modifying drug candidates to improve their pharmacokinetic properties. Recent studies have demonstrated its potential in developing novel antiviral agents, where its unique electronic properties contribute to enhanced binding affinity with target proteins.

In addition to pharmaceutical applications, 2-fluoro-6-methoxybenzamide has found utility in materials science. Its incorporation into polymer matrices has been shown to improve mechanical strength and thermal stability, making it a candidate for advanced composite materials. Researchers have also explored its use as a precursor for synthesizing fluorescent materials, leveraging its ability to emit light under specific conditions.

The latest research on 2-fluoro-6-methoxybenzamide has focused on understanding its interaction with biological systems at the molecular level. Computational studies using density functional theory (DFT) have provided insights into its electronic structure and reactivity patterns. These findings have paved the way for designing more efficient synthetic pathways and optimizing its use in biomedical applications.

In conclusion, 2-fluoro-6-methoxybenzamide (CAS No. 529512-81-0) stands out as a versatile compound with diverse applications across multiple disciplines. Its unique chemical properties, coupled with advancements in synthetic methodologies, position it as a key player in contemporary chemical research. As ongoing studies continue to uncover new potentials for this compound, its significance in both academic and industrial settings is expected to grow further.

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