Cas no 1261955-07-0 (2-(3-methoxycarbonylphenyl)-4-nitrobenzoic Acid)

2-(3-Methoxycarbonylphenyl)-4-nitrobenzoic acid is a nitro-substituted benzoic acid derivative featuring a methoxycarbonylphenyl functional group. This compound is of interest in synthetic organic chemistry due to its versatile reactivity, particularly as an intermediate in the preparation of more complex molecules. The presence of both carboxylic acid and ester functionalities allows for selective modifications, while the nitro group enhances electrophilic properties, facilitating further derivatization. Its structural features make it suitable for applications in pharmaceutical and materials research, where precise functionalization is required. The compound exhibits stability under standard handling conditions, ensuring reliable performance in synthetic workflows.
2-(3-methoxycarbonylphenyl)-4-nitrobenzoic Acid structure
1261955-07-0 structure
Product Name:2-(3-methoxycarbonylphenyl)-4-nitrobenzoic Acid
CAS No:1261955-07-0
MF:C15H11NO6
MW:301.250944375992
MDL:MFCD18321218
CID:1223285
PubChem ID:53227108
Update Time:2025-05-23

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

Names and Identifiers

    • 2-(3-methoxycarbonylphenyl)-4-nitrobenzoic Acid
    • 2-(3-Methoxycarbonylphenyl)-4-nitrobenzoic acid, 95%
    • 1261955-07-0
    • DTXSID30690695
    • MFCD18321218
    • 3'-(Methoxycarbonyl)-5-nitro[1,1'-biphenyl]-2-carboxylic acid
    • MDL: MFCD18321218
    • Inchi: 1S/C15H11NO6/c1-22-15(19)10-4-2-3-9(7-10)13-8-11(16(20)21)5-6-12(13)14(17)18/h2-8H,1H3,(H,17,18)
    • InChI Key: YJXQBHHSPOHAKD-UHFFFAOYSA-N
    • SMILES: O(C)C(C1=CC=CC(=C1)C1C=C(C=CC=1C(=O)O)[N+](=O)[O-])=O

Computed Properties

  • Exact Mass: 301.05863707g/mol
  • Monoisotopic Mass: 301.05863707g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 4
  • Complexity: 446
  • 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: 109?2

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

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB328436-5 g
2-(3-Methoxycarbonylphenyl)-4-nitrobenzoic acid, 95%; .
1261955-07-0 95%
5g
€1159.00 2023-04-26
abcr
AB328436-5g
2-(3-Methoxycarbonylphenyl)-4-nitrobenzoic acid, 95%; .
1261955-07-0 95%
5g
€1159.00 2025-02-15

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

Compound CAS No. 1261955-07-0: 2-(3-Methoxycarbonylphenyl)-4-Nitrobenzoic Acid

2-(3-Methoxycarbonylphenyl)-4-nitrobenzoic acid, also known by its CAS number 1261955-07-0, is a compound of significant interest in the fields of organic chemistry and materials science. This compound is characterized by its unique structure, which combines a benzoic acid moiety with a nitro group and a methoxycarbonyl-substituted phenyl ring. The combination of these functional groups makes it a versatile molecule with potential applications in drug discovery, material synthesis, and advanced chemical research.

The synthesis of 2-(3-methoxycarbonylphenyl)-4-nitrobenzoic acid involves a series of carefully designed organic reactions. Recent studies have focused on optimizing the synthesis pathways to enhance yield and purity, leveraging modern catalytic techniques and green chemistry principles. Researchers have explored the use of transition metal catalysts, such as palladium complexes, to facilitate coupling reactions that are critical in constructing the molecule's complex architecture.

In terms of applications, this compound has shown promise in the development of novel pharmaceutical agents. The nitro group and methoxycarbonyl substituents contribute to its potential as a bioactive molecule, with studies indicating activity against certain enzymes and cellular pathways. For instance, recent research has highlighted its ability to inhibit specific kinases involved in cancer cell proliferation, making it a candidate for further investigation in oncology drug development.

Beyond pharmacology, 2-(3-methoxycarbonylphenyl)-4-nitrobenzoic acid has also been explored in materials science. Its aromatic structure and functional groups make it suitable for use in the synthesis of advanced polymers and hybrid materials. For example, researchers have utilized this compound as a building block for creating stimuli-responsive materials that exhibit changes in properties under specific environmental conditions, such as temperature or pH.

The study of this compound has also contributed to our understanding of molecular recognition and self-assembly processes. Its ability to form supramolecular structures through hydrogen bonding and π-π interactions has been extensively investigated. These studies have implications for the design of new materials with tailored properties for applications in sensing, catalysis, and energy storage.

Recent advancements in computational chemistry have further enhanced our understanding of the electronic and structural properties of CAS No. 1261955-07-0. Quantum mechanical calculations have provided insights into its electronic distribution, reactivity, and potential for participation in various chemical transformations. These computational studies complement experimental work, enabling researchers to predict and optimize the behavior of this compound in different chemical environments.

In conclusion, 2-(3-methoxycarbonylphenyl)-4-nitrobenzoic acid, or CAS No. 1261955-07-0, is a multifaceted compound with diverse applications across multiple disciplines. Its unique structure and functional groups make it an invaluable tool for advancing research in organic chemistry, materials science, and pharmacology. As ongoing studies continue to uncover its potential, this compound is poised to play an increasingly important role in both academic research and industrial applications.

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