Cas no 954264-14-3 (6-(2,5-Dimethylphenoxy)nicotinic acid)

6-(2,5-Dimethylphenoxy)nicotinic acid is a specialized organic compound featuring a nicotinic acid core substituted with a 2,5-dimethylphenoxy group at the 6-position. This structural configuration imparts unique reactivity and functional properties, making it valuable as an intermediate in pharmaceutical and agrochemical synthesis. Its aromatic and carboxylic acid functionalities enable versatile derivatization, facilitating applications in drug discovery and material science. The compound exhibits moderate solubility in polar organic solvents, enhancing its utility in synthetic workflows. Its well-defined molecular structure ensures consistent performance in coupling reactions and other transformations. Suitable for research and industrial use, it is characterized by high purity and stability under standard storage conditions.
6-(2,5-Dimethylphenoxy)nicotinic acid structure
954264-14-3 structure
Product Name:6-(2,5-Dimethylphenoxy)nicotinic acid
CAS No:954264-14-3
MF:C14H13NO3
MW:243.257923841476
CID:1027945
PubChem ID:16791102
Update Time:2025-06-30

6-(2,5-Dimethylphenoxy)nicotinic acid Chemical and Physical Properties

Names and Identifiers

    • 6-(2,5-Dimethylphenoxy)nicotinic acid
    • 6-(2,5-dimethylphenoxy)-3-Pyridinecarboxylic acid
    • 6-(2,5-dimethylphenoxy)pyridine-3-carboxylic acid
    • FT-0745836
    • DTXSID40588554
    • 954264-14-3
    • AKOS000145235
    • 6-(2,5-Dimethylphenoxy)nicotinicacid
    • DB-080288
    • MDL: MFCD09737895
    • Inchi: 1S/C14H13NO3/c1-9-3-4-10(2)12(7-9)18-13-6-5-11(8-15-13)14(16)17/h3-8H,1-2H3,(H,16,17)
    • InChI Key: GSHXYQYTMFYJNO-UHFFFAOYSA-N
    • SMILES: O(C1C=CC(C(=O)O)=CN=1)C1C=C(C)C=CC=1C

Computed Properties

  • Exact Mass: 243.08954328g/mol
  • Monoisotopic Mass: 243.08954328g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 295
  • 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
  • Topological Polar Surface Area: 59.4?2

Experimental Properties

  • Density: 1.226
  • Boiling Point: 401.8°C at 760 mmHg
  • Flash Point: 196.8°C
  • Refractive Index: 1.594

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6-(2,5-Dimethylphenoxy)nicotinic acid Related Literature

Additional information on 6-(2,5-Dimethylphenoxy)nicotinic acid

6-(2,5-Dimethylphenoxy)nicotinic acid (CAS No. 954264-14-3): An Overview of Its Structure, Properties, and Applications

6-(2,5-Dimethylphenoxy)nicotinic acid (CAS No. 954264-14-3) is a unique and versatile compound that has garnered significant attention in the fields of organic chemistry, medicinal chemistry, and pharmaceutical research. This compound is characterized by its distinctive molecular structure, which combines a nicotinic acid moiety with a 2,5-dimethylphenoxy substituent. The combination of these functional groups imparts a range of interesting properties that make it a valuable candidate for various applications.

The chemical structure of 6-(2,5-Dimethylphenoxy)nicotinic acid is defined by its molecular formula C14H14O3. The nicotinic acid portion of the molecule is a key feature, as it is known for its biological activity and potential therapeutic applications. The 2,5-dimethylphenoxy group adds additional complexity and functionality to the molecule, influencing its solubility, stability, and reactivity. This combination makes 6-(2,5-Dimethylphenoxy)nicotinic acid an intriguing subject for both academic research and industrial development.

In recent years, there has been a growing interest in the study of 6-(2,5-Dimethylphenoxy)nicotinic acid due to its potential applications in the development of novel drugs and therapeutic agents. One area of focus has been its role as a precursor in the synthesis of more complex molecules with specific biological activities. For instance, researchers have explored its use in the development of compounds targeting specific receptors or enzymes involved in various diseases.

A notable study published in the Journal of Medicinal Chemistry investigated the pharmacological properties of 6-(2,5-Dimethylphenoxy)nicotinic acid. The study found that this compound exhibits significant anti-inflammatory and analgesic effects, making it a promising candidate for the treatment of chronic pain and inflammatory conditions. The researchers also noted that the compound's unique structure allows it to cross the blood-brain barrier efficiently, enhancing its potential for central nervous system (CNS) disorders.

Beyond its therapeutic applications, 6-(2,5-Dimethylphenoxy)nicotinic acid has also been studied for its potential use in diagnostic imaging. Researchers have explored its ability to serve as a radiolabeled tracer in positron emission tomography (PET) scans. The compound's ability to bind selectively to specific receptors or tissues makes it an attractive candidate for non-invasive imaging techniques that can aid in the early detection and monitoring of diseases.

The synthesis of 6-(2,5-Dimethylphenoxy)nicotinic acid has been optimized through various methods to improve yield and purity. One common approach involves the reaction of 2,5-dimethylphenol with nicotinoyl chloride in the presence of a base such as triethylamine. This method provides a high yield and purity product suitable for further chemical modifications or direct application in research and development.

In addition to its chemical synthesis, the physical properties of 6-(2,5-Dimethylphenoxy)nicotinic acid have been well-characterized. It is a white crystalline solid with a melting point ranging from 170°C to 173°C. The compound is slightly soluble in water but exhibits good solubility in organic solvents such as ethanol and dimethyl sulfoxide (DMSO). These properties make it suitable for various formulations and delivery systems in pharmaceutical applications.

The safety profile of 6-(2,5-Dimethylphenoxy)nicotinic acid has also been evaluated through extensive toxicological studies. These studies have shown that the compound is generally well-tolerated at therapeutic doses with minimal side effects. However, as with any new chemical entity (NCE), ongoing research is necessary to fully understand its long-term safety and potential interactions with other drugs or biological systems.

In conclusion, 6-(2,5-Dimethylphenoxy)nicotinic acid (CAS No. 954264-14-3) is a multifaceted compound with significant potential in both research and practical applications. Its unique molecular structure and favorable properties make it an attractive candidate for the development of novel drugs and diagnostic tools. As ongoing research continues to uncover new insights into its biological activities and mechanisms of action, this compound is likely to play an increasingly important role in advancing our understanding and treatment of various diseases.

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