Cas no 1261935-48-1 (2-(3-Chloro-4-methoxycarbonylphenyl)-4-fluorobenzoic acid)

2-(3-Chloro-4-methoxycarbonylphenyl)-4-fluorobenzoic acid is a fluorinated benzoic acid derivative featuring a chloro-substituted methoxycarbonylphenyl group. This compound is of interest in pharmaceutical and agrochemical research due to its structural versatility, which allows for further functionalization and application as a key intermediate in synthetic pathways. The presence of both fluorine and chlorine atoms enhances its reactivity, making it valuable for cross-coupling reactions and other transformations. Its well-defined molecular structure ensures consistent performance in organic synthesis. The compound is typically characterized by high purity and stability, making it suitable for precision applications in medicinal chemistry and material science. Proper handling and storage are recommended to maintain its integrity.
2-(3-Chloro-4-methoxycarbonylphenyl)-4-fluorobenzoic acid structure
1261935-48-1 structure
Product Name:2-(3-Chloro-4-methoxycarbonylphenyl)-4-fluorobenzoic acid
CAS No:1261935-48-1
MF:C15H10ClFO4
MW:308.688907146454
MDL:MFCD18322651
CID:2764552
PubChem ID:53228470
Update Time:2025-05-20

2-(3-Chloro-4-methoxycarbonylphenyl)-4-fluorobenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 2-(3-CHLORO-4-METHOXYCARBONYLPHENYL)-4-FLUOROBENZOIC ACID
    • DTXSID80692003
    • 1261935-48-1
    • 3'-Chloro-5-fluoro-4'-(methoxycarbonyl)[1,1'-biphenyl]-2-carboxylic acid
    • MFCD18322651
    • 2-(3-Chloro-4-methoxycarbonylphenyl)-4-fluorobenzoic acid, 95%
    • 2-(3-Chloro-4-methoxycarbonylphenyl)-4-fluorobenzoic acid
    • MDL: MFCD18322651
    • Inchi: 1S/C15H10ClFO4/c1-21-15(20)11-4-2-8(6-13(11)16)12-7-9(17)3-5-10(12)14(18)19/h2-7H,1H3,(H,18,19)
    • InChI Key: BAQYVUZZVXNLON-UHFFFAOYSA-N
    • SMILES: ClC1=C(C(=O)OC)C=CC(=C1)C1C=C(C=CC=1C(=O)O)F

Computed Properties

  • Exact Mass: 308.0251647Da
  • Monoisotopic Mass: 308.0251647Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 4
  • Complexity: 403
  • 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: 3.7
  • Topological Polar Surface Area: 63.6?2

2-(3-Chloro-4-methoxycarbonylphenyl)-4-fluorobenzoic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB329928-5 g
2-(3-Chloro-4-methoxycarbonylphenyl)-4-fluorobenzoic acid, 95%; .
1261935-48-1 95%
5g
€1159.00 2023-04-26
abcr
AB329928-5g
2-(3-Chloro-4-methoxycarbonylphenyl)-4-fluorobenzoic acid, 95%; .
1261935-48-1 95%
5g
€1159.00 2025-04-21

Additional information on 2-(3-Chloro-4-methoxycarbonylphenyl)-4-fluorobenzoic acid

2-(3-Chloro-4-methoxycarbonylphenyl)-4-fluorobenzoic acid: A Comprehensive Overview

2-(3-Chloro-4-methoxycarbonylphenyl)-4-fluorobenzoic acid (CAS No. 1261935-48-1) is a highly specialized organic compound with significant applications in the fields of pharmaceuticals, agrochemicals, and materials science. This compound, characterized by its unique structure and functional groups, has garnered attention due to its potential in drug discovery and as a precursor for advanced materials. In this article, we delve into the properties, synthesis, applications, and recent research findings related to this compound.

The molecular structure of 2-(3-Chloro-4-methoxycarbonylphenyl)-4-fluorobenzoic acid is notable for its aromatic rings and substituents. The presence of a chlorine atom at the 3-position and a methoxycarbonyl group at the 4-position on one phenyl ring, coupled with a fluorine atom at the 4-position on the benzoic acid moiety, confers it with unique electronic and steric properties. These features make it an attractive candidate for various chemical transformations and biological assays.

Recent studies have highlighted the importance of benzoic acid derivatives in medicinal chemistry. Researchers have explored the potential of 2-(3-Chloro-4-methoxycarbonylphenyl)-4-fluorobenzoic acid as a lead compound for developing new drugs targeting specific biological pathways. For instance, its ability to modulate enzyme activity has been investigated in the context of cancer therapy and neurodegenerative diseases.

The synthesis of 2-(3-Chloro-4-methoxycarbonylphenyl)-4-fluorobenzoic acid involves multi-step organic reactions, often employing coupling agents and protecting groups to achieve high yields and purity. Advanced techniques such as microwave-assisted synthesis and catalytic cross-coupling have been employed to optimize the production process. These methods not only enhance efficiency but also reduce environmental impact, aligning with green chemistry principles.

In terms of applications, benzoic acid derivatives like this compound are widely used in agrochemicals due to their pesticidal properties. Recent research has focused on improving their bioavailability and reducing toxicity, making them more suitable for agricultural use. Additionally, their role as intermediates in the synthesis of advanced materials, such as organic semiconductors, has been explored in cutting-edge studies.

The environmental impact of 2-(3-Chloro-4-methoxycarbonylphenyl)-4-fluorobenzoic acid is another area of interest. Studies have examined its biodegradation pathways and toxicity profiles to ensure sustainable use. Regulatory frameworks are increasingly emphasizing the need for eco-friendly chemical compounds, and this compound's potential in meeting these standards has been recognized.

Looking ahead, ongoing research aims to unlock new functionalities of benzoic acid derivatives by modifying their substituents or incorporating additional functional groups. Collaborative efforts between academia and industry are expected to drive innovation in this field, leading to novel applications across multiple sectors.

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