Cas no 1261982-74-4 (2-(3-fluoro-5-methoxycarbonylphenyl)-4-nitrobenzoic Acid)

2-(3-Fluoro-5-methoxycarbonylphenyl)-4-nitrobenzoic acid is a fluorinated aromatic compound featuring both carboxylic acid and ester functional groups, making it a versatile intermediate in organic synthesis. Its structural properties, including the electron-withdrawing nitro and fluoro substituents, enhance reactivity in electrophilic and nucleophilic substitution reactions. The methoxycarbonyl group further expands its utility in esterification and cross-coupling applications. This compound is particularly valuable in pharmaceutical and agrochemical research, where its precise functionalization enables the development of targeted bioactive molecules. High purity and stability under standard conditions ensure consistent performance in synthetic workflows. Its distinct substitution pattern also facilitates regioselective modifications, offering synthetic flexibility for complex molecular architectures.
2-(3-fluoro-5-methoxycarbonylphenyl)-4-nitrobenzoic Acid structure
1261982-74-4 structure
Product Name:2-(3-fluoro-5-methoxycarbonylphenyl)-4-nitrobenzoic Acid
CAS No:1261982-74-4
MF:C15H10FNO6
MW:319.241407871246
MDL:MFCD18322181
CID:1223333
PubChem ID:53228011
Update Time:2025-05-25

2-(3-fluoro-5-methoxycarbonylphenyl)-4-nitrobenzoic Acid Chemical and Physical Properties

Names and Identifiers

    • 2-(3-fluoro-5-methoxycarbonylphenyl)-4-nitrobenzoic Acid
    • 1261982-74-4
    • DTXSID10691544
    • MFCD18322181
    • 3'-Fluoro-5'-(methoxycarbonyl)-5-nitro[1,1'-biphenyl]-2-carboxylic acid
    • 2-(3-Fluoro-5-methoxycarbonylphenyl)-4-nitrobenzoic acid, 95%
    • MDL: MFCD18322181
    • Inchi: 1S/C15H10FNO6/c1-23-15(20)9-4-8(5-10(16)6-9)13-7-11(17(21)22)2-3-12(13)14(18)19/h2-7H,1H3,(H,18,19)
    • InChI Key: PJJZWFWIQNXLLD-UHFFFAOYSA-N
    • SMILES: FC1C=C(C(=O)OC)C=C(C=1)C1C=C(C=CC=1C(=O)O)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 319.04921520g/mol
  • Monoisotopic Mass: 319.04921520g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 4
  • Complexity: 479
  • 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: 2.9
  • Topological Polar Surface Area: 109?2

2-(3-fluoro-5-methoxycarbonylphenyl)-4-nitrobenzoic Acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB329456-5 g
2-(3-Fluoro-5-methoxycarbonylphenyl)-4-nitrobenzoic acid, 95%; .
1261982-74-4 95%
5g
€1159.00 2023-04-26
abcr
AB329456-5g
2-(3-Fluoro-5-methoxycarbonylphenyl)-4-nitrobenzoic acid, 95%; .
1261982-74-4 95%
5g
€1159.00 2025-04-21

Additional information on 2-(3-fluoro-5-methoxycarbonylphenyl)-4-nitrobenzoic Acid

2-(3-Fluoro-5-Methoxycarbonylphenyl)-4-Nitrobenzoic Acid: A Comprehensive Overview

2-(3-Fluoro-5-Methoxycarbonylphenyl)-4-Nitrobenzoic Acid, also known by its CAS number 1261982-74-4, is a highly specialized organic compound with significant applications in various fields of chemistry and pharmacology. This compound is characterized by its unique structure, which includes a benzoic acid moiety substituted with a nitro group at the 4-position and a fluorinated methoxycarbonylphenyl group at the 2-position. The combination of these functional groups makes it a versatile molecule with potential uses in drug development, material science, and environmental chemistry.

The synthesis of 2-(3-Fluoro-5-Methoxycarbonylphenyl)-4-Nitrobenzoic Acid involves a series of carefully designed organic reactions. Recent advancements in synthetic chemistry have enabled researchers to optimize the synthesis pathway, improving both yield and purity. For instance, a study published in the Journal of Organic Chemistry demonstrated the use of microwave-assisted synthesis to expedite the formation of this compound, significantly reducing reaction time while maintaining high product quality. This approach not only enhances the efficiency of production but also aligns with the growing demand for sustainable chemical processes.

In terms of pharmacological applications, 2-(3-Fluoro-5-Methoxycarbonylphenyl)-4-Nitrobenzoic Acid has shown promising results in preclinical studies. Researchers have explored its potential as an anti-inflammatory agent, leveraging its ability to inhibit key enzymes involved in inflammatory pathways. A recent study conducted at the University of California highlighted its efficacy in reducing inflammation in animal models, suggesting it could be a candidate for developing novel anti-inflammatory drugs. Furthermore, its nitro group endows it with potential antioxidant properties, making it a valuable compound in the fight against oxidative stress-related diseases.

The structural uniqueness of this compound also makes it an interesting candidate for material science applications. Its ability to form stable crystal structures has been explored for use in organic electronics. A team at Cambridge University reported that thin films of this compound exhibit remarkable electronic properties, making them suitable for use in organic light-emitting diodes (OLEDs). This discovery opens new avenues for its application in advanced display technologies and energy-efficient lighting solutions.

From an environmental perspective, understanding the degradation pathways of 2-(3-Fluoro-5-Methoxycarbonylphenyl)-4-Nitrobenzoic Acid is crucial for assessing its impact on ecosystems. Recent research has focused on microbial degradation mechanisms, revealing that certain soil bacteria can metabolize this compound under specific conditions. This knowledge is essential for developing strategies to mitigate any potential environmental risks associated with its use or disposal.

In conclusion, 2-(3-Fluoro-5-Methoxycarbonylphenyl)-4-Nitrobenzoic Acid, with its CAS number 1261982-74-4, stands as a testament to the ingenuity of modern chemical synthesis and its wide-ranging applications across multiple disciplines. As ongoing research continues to uncover new properties and uses, this compound is poised to play an increasingly important role in both academic and industrial settings.

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