Cas no 869528-07-4 (4-PYRIDINECARBOXYLIC ACID, 2-CHLORO-6-(DIFLUOROMETHYL)-, METHYL ESTER)

2-Chloro-6-(difluoromethyl)-4-pyridinecarboxylic acid methyl ester is a fluorinated pyridine derivative with significant utility in synthetic organic chemistry and agrochemical applications. Its key structural features—a chloro and difluoromethyl substituent on the pyridine ring—enhance reactivity and bioavailability, making it a valuable intermediate for the synthesis of advanced heterocyclic compounds. The methyl ester group improves solubility and facilitates further functionalization. This compound is particularly relevant in the development of crop protection agents due to its potential bioactivity. High purity and stability under standard conditions ensure consistent performance in research and industrial processes. Its versatility in cross-coupling and nucleophilic substitution reactions further underscores its importance in fine chemical synthesis.
4-PYRIDINECARBOXYLIC ACID, 2-CHLORO-6-(DIFLUOROMETHYL)-, METHYL ESTER structure
869528-07-4 structure
Product Name:4-PYRIDINECARBOXYLIC ACID, 2-CHLORO-6-(DIFLUOROMETHYL)-, METHYL ESTER
CAS No:869528-07-4
MF:C8H6ClF2NO2
MW:221.588548183441
CID:3311984
PubChem ID:86081352
Update Time:2025-08-05

4-PYRIDINECARBOXYLIC ACID, 2-CHLORO-6-(DIFLUOROMETHYL)-, METHYL ESTER Chemical and Physical Properties

Names and Identifiers

    • 4-PYRIDINECARBOXYLIC ACID, 2-CHLORO-6-(DIFLUOROMETHYL)-, METHYL ESTER
    • 869528-07-4
    • Methyl 2-chloro-6-(difluoromethyl)pyridine-4-carboxylate
    • SCHEMBL3853557
    • 2-chloro-6-difluoromethyl-isonicotinic acid methyl ester
    • Inchi: 1S/C8H6ClF2NO2/c1-14-8(13)4-2-5(7(10)11)12-6(9)3-4/h2-3,7H,1H3
    • InChI Key: JJBUMYXOGRLKJX-UHFFFAOYSA-N
    • SMILES: C1(Cl)=NC(C(F)F)=CC(C(OC)=O)=C1

Computed Properties

  • Exact Mass: 221.0055125Da
  • Monoisotopic Mass: 221.0055125Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 216
  • 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: 2.3
  • Topological Polar Surface Area: 39.2?2

4-PYRIDINECARBOXYLIC ACID, 2-CHLORO-6-(DIFLUOROMETHYL)-, METHYL ESTER Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A023025080-250mg
Methyl 2-chloro-6-(difluoromethyl)pyridine-4-carboxylate
869528-07-4 97%
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Alichem
A023025080-500mg
Methyl 2-chloro-6-(difluoromethyl)pyridine-4-carboxylate
869528-07-4 97%
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Alichem
A023025080-1g
Methyl 2-chloro-6-(difluoromethyl)pyridine-4-carboxylate
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$1831.20 2023-08-31

Additional information on 4-PYRIDINECARBOXYLIC ACID, 2-CHLORO-6-(DIFLUOROMETHYL)-, METHYL ESTER

4-Pyridinecarboxylic Acid, 2-Chloro-6-(Difluoromethyl)-, Methyl Ester

The compound with CAS No. 869528-07-4, known as 4-pyridinecarboxylic acid, 2-chloro-6-(difluoromethyl)-, methyl ester, is a highly specialized organic compound with significant potential in various fields of chemistry and materials science. This compound is characterized by its pyridine ring structure, which serves as the central framework for its functional groups. The pyridine ring is a six-membered aromatic ring containing one nitrogen atom, providing unique electronic properties that make it highly versatile in chemical reactions.

The methyl ester group attached to the pyridine ring adds to the compound's reactivity and solubility, making it suitable for a wide range of applications. The difluoromethyl group at the 6-position introduces additional fluorine atoms, enhancing the compound's stability and reactivity. This combination of functional groups makes the compound a valuable intermediate in organic synthesis, particularly in the development of advanced materials and pharmaceuticals.

Recent studies have highlighted the importance of fluorinated pyridine derivatives in modern chemistry. Fluorine atoms are known for their high electronegativity and ability to stabilize molecules through inductive effects. In the case of 4-pyridinecarboxylic acid, 2-chloro-6-(difluoromethyl)-, methyl ester, the presence of fluorine atoms significantly influences the electronic properties of the molecule. This makes it an ideal candidate for applications in drug design, where precise control over molecular interactions is crucial.

The chloro group at the 2-position further enhances the compound's reactivity by introducing electron-withdrawing effects. This makes it highly effective in catalytic processes and as a precursor for more complex molecules. Recent research has demonstrated that such chlorinated pyridine derivatives can be used in the synthesis of bioactive compounds with potential anti-cancer and anti-inflammatory properties.

One of the most promising applications of this compound lies in its use as a building block for advanced materials. The combination of a pyridine ring with fluorinated and chlorinated substituents provides excellent thermal stability and mechanical strength. These properties make it suitable for use in high-performance polymers and composites, which are increasingly demanded in industries such as aerospace and electronics.

In terms of synthesis, 4-pyridinecarboxylic acid, 2-chloro-6-(difluoromethyl)-, methyl ester can be prepared through a variety of methods. One common approach involves nucleophilic substitution reactions on chloropyridines followed by esterification to introduce the methyl ester group. The introduction of the difluoromethyl group typically requires specialized techniques such as fluorination using electrophilic fluorinating agents or through substitution reactions involving fluorinated intermediates.

Recent advancements in catalytic processes have made it possible to synthesize this compound with higher yields and greater purity. These improvements are driven by the increasing demand for high-quality intermediates in pharmaceutical and materials science industries. The ability to control reaction conditions precisely has also enabled researchers to explore new synthetic pathways that could lead to even more efficient production methods.

The unique combination of functional groups in this compound also makes it an attractive candidate for use in electrochemical applications. The pyridine ring's aromaticity provides excellent electron transport properties, while the fluorinated substituents enhance ion conductivity. These characteristics make it a potential candidate for use in advanced battery technologies and energy storage systems.

In conclusion, 4-pyridinecarboxylic acid, 2-chloro-6-(difluoromethyl)-, methyl ester (CAS No. 869528-07-4) is a versatile and highly functionalized organic compound with a wide range of potential applications. Its unique structure allows it to serve as an intermediate in organic synthesis, a building block for advanced materials, and a precursor for bioactive compounds with therapeutic potential. As research continues to uncover new properties and applications for this compound, its role in modern chemistry is likely to grow even further.

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