Cas no 1261989-46-1 (4-[4-(Ethoxycarbonyl)-3-fluorophenyl]-2-nitrobenzoic acid)

4-[4-(Ethoxycarbonyl)-3-fluorophenyl]-2-nitrobenzoic acid is a fluorinated aromatic compound featuring both ester and carboxylic acid functional groups, along with a nitro substituent. Its structural complexity makes it a valuable intermediate in organic synthesis, particularly for constructing pharmacologically active molecules or specialty chemicals. The presence of fluorine enhances its reactivity and potential for selective modifications, while the nitro group offers versatility in further functionalization. The ethoxycarbonyl moiety provides a handle for ester hydrolysis or transesterification, broadening its utility in multi-step synthetic routes. This compound is suited for applications requiring precise control over electronic and steric properties in target molecules. Proper handling is advised due to potential reactivity of the nitro and carboxylic acid groups.
4-[4-(Ethoxycarbonyl)-3-fluorophenyl]-2-nitrobenzoic acid structure
1261989-46-1 structure
Product Name:4-[4-(Ethoxycarbonyl)-3-fluorophenyl]-2-nitrobenzoic acid
CAS No:1261989-46-1
MF:C16H12FNO6
MW:333.267988204956
MDL:MFCD18322608
CID:2767907
PubChem ID:53228427
Update Time:2025-11-06

4-[4-(Ethoxycarbonyl)-3-fluorophenyl]-2-nitrobenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 4-[4-(Ethoxycarbonyl)-3-fluorophenyl]-2-nitrobenzoic acid, 95%
    • 1261989-46-1
    • 4'-(Ethoxycarbonyl)-3'-fluoro-3-nitro[1,1'-biphenyl]-4-carboxylic acid
    • MFCD18322608
    • 4-[4-(ETHOXYCARBONYL)-3-FLUOROPHENYL]-2-NITROBENZOIC ACID
    • DTXSID30691960
    • 4-[4-(Ethoxycarbonyl)-3-fluorophenyl]-2-nitrobenzoic acid
    • MDL: MFCD18322608
    • Inchi: 1S/C16H12FNO6/c1-2-24-16(21)11-5-3-9(7-13(11)17)10-4-6-12(15(19)20)14(8-10)18(22)23/h3-8H,2H2,1H3,(H,19,20)
    • InChI Key: AWHWIYKTXKWQPX-UHFFFAOYSA-N
    • SMILES: FC1=C(C(=O)OCC)C=CC(=C1)C1C=CC(C(=O)O)=C(C=1)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 333.06486526Da
  • Monoisotopic Mass: 333.06486526Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 5
  • Complexity: 493
  • 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: 3.2
  • Topological Polar Surface Area: 109?2

4-[4-(Ethoxycarbonyl)-3-fluorophenyl]-2-nitrobenzoic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB329885-5 g
4-[4-(Ethoxycarbonyl)-3-fluorophenyl]-2-nitrobenzoic acid, 95%; .
1261989-46-1 95%
5g
€1159.00 2023-04-26
abcr
AB329885-5g
4-[4-(Ethoxycarbonyl)-3-fluorophenyl]-2-nitrobenzoic acid, 95%; .
1261989-46-1 95%
5g
€1159.00 2024-06-08

Additional information on 4-[4-(Ethoxycarbonyl)-3-fluorophenyl]-2-nitrobenzoic acid

Comprehensive Overview of 4-[4-(Ethoxycarbonyl)-3-fluorophenyl]-2-nitrobenzoic acid (CAS No. 1261989-46-1)

4-[4-(Ethoxycarbonyl)-3-fluorophenyl]-2-nitrobenzoic acid (CAS No. 1261989-46-1) is a specialized organic compound that has garnered significant attention in the fields of medicinal chemistry and material science. This compound, characterized by its unique nitrobenzoic acid and ethoxycarbonyl-fluorophenyl moieties, serves as a critical intermediate in the synthesis of advanced pharmaceuticals and functional materials. Its molecular structure, which includes a fluorine substituent and a nitro group, contributes to its reactivity and potential applications in drug design and agrochemical development.

The growing interest in 4-[4-(Ethoxycarbonyl)-3-fluorophenyl]-2-nitrobenzoic acid is driven by its versatility in chemical transformations. Researchers are particularly intrigued by its role in the development of targeted drug delivery systems and bioactive molecules. With the rise of personalized medicine and the demand for highly selective therapeutic agents, this compound has become a focal point in the synthesis of novel small-molecule inhibitors and enzyme modulators. Its fluorinated aromatic ring enhances metabolic stability, making it a valuable building block in modern drug discovery.

In addition to its pharmaceutical applications, CAS No. 1261989-46-1 is also explored in material science for its potential in creating advanced polymers and photoactive materials. The nitro group in its structure allows for further functionalization, enabling the design of materials with tailored optical and electronic properties. This aligns with the current trend of developing sustainable materials and green chemistry solutions, as researchers seek eco-friendly alternatives for industrial processes.

One of the most frequently asked questions about 4-[4-(Ethoxycarbonyl)-3-fluorophenyl]-2-nitrobenzoic acid revolves around its synthesis and purification methods. Optimizing the yield and purity of this compound is critical for its application in high-value industries. Advanced techniques such as HPLC purification and crystallization are often employed to ensure its quality. Furthermore, its stability under various conditions is a topic of ongoing research, particularly for those interested in long-term storage and scalable production.

The compound's relevance extends to the field of agrochemicals, where its derivatives are investigated for their potential as herbicides and pesticides. The fluorine atom in its structure is known to enhance the bioavailability and efficacy of agrochemical agents, addressing the global demand for crop protection solutions. This aligns with the broader industry focus on sustainable agriculture and food security, making CAS No. 1261989-46-1 a compound of strategic importance.

From an environmental perspective, the biodegradability and ecological impact of 4-[4-(Ethoxycarbonyl)-3-fluorophenyl]-2-nitrobenzoic acid are subjects of active investigation. As regulatory frameworks tighten around chemical safety and environmental compliance, understanding the compound's lifecycle and degradation pathways is essential. This is particularly relevant for industries aiming to meet REACH and EPA guidelines while minimizing their ecological footprint.

In summary, 4-[4-(Ethoxycarbonyl)-3-fluorophenyl]-2-nitrobenzoic acid (CAS No. 1261989-46-1) is a multifaceted compound with applications spanning pharmaceuticals, materials science, and agrochemicals. Its unique structural features, including the nitrobenzoic acid core and fluorophenyl group, make it a valuable asset in research and industrial settings. As the scientific community continues to explore its potential, this compound is poised to play a pivotal role in addressing some of the most pressing challenges in healthcare, agriculture, and sustainable technology.

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