Cas no 113898-56-9 (Ethyl 2-fluoropyridine-3-carboxylate)

Ethyl 2-fluoropyridine-3-carboxylate is a fluorinated pyridine derivative widely used as a versatile intermediate in pharmaceutical and agrochemical synthesis. Its key advantages include the presence of both a fluorine substituent and an ester functional group, which enhance reactivity and enable further derivatization. The fluorine atom improves metabolic stability and binding affinity in bioactive molecules, while the ethyl ester group offers flexibility for hydrolysis or transesterification. This compound is particularly valuable in the development of fluorinated heterocycles, serving as a building block for drug candidates and specialty chemicals. Its high purity and consistent quality ensure reliable performance in synthetic applications.
Ethyl 2-fluoropyridine-3-carboxylate structure
113898-56-9 structure
Product Name:Ethyl 2-fluoropyridine-3-carboxylate
CAS No:113898-56-9
MF:C8H8FNO2
MW:169.153025627136
CID:1036446
PubChem ID:14296371
Update Time:2025-05-19

Ethyl 2-fluoropyridine-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 2-fluoronicotinate
    • Ethyl 2-fluoronicotite
    • ethyl 2-fluoropyridine-3-carboxylate
    • 3-Pyridinecarboxylic acid,2-fluoro-,ethyl ester
    • 2-Fluoro-3-pyridinecarboxylic acid ethyl ester
    • 3-(ethoxycarbonyl)-2-fluoropyridine
    • DTXSID20558614
    • 113898-56-9
    • MFCD14698241
    • AKVVBYDLMJMJRW-UHFFFAOYSA-N
    • DB-342933
    • 2-Fluoro-nicotinic acid ethyl ester
    • Ethyl2-fluoronicotinate
    • SY345577
    • 3-Pyridinecarboxylic acid, 2-fluoro-, ethyl ester
    • SCHEMBL12897074
    • SB53419
    • CS-0089688
    • AKOS016000891
    • AS-43572
    • Ethyl 2-fluoropyridine-3-carboxylate
    • MDL: MFCD14698241
    • Inchi: 1S/C8H8FNO2/c1-2-12-8(11)6-4-3-5-10-7(6)9/h3-5H,2H2,1H3
    • InChI Key: AKVVBYDLMJMJRW-UHFFFAOYSA-N
    • SMILES: FC1C(=CC=CN=1)C(=O)OCC

Computed Properties

  • Exact Mass: 169.05400
  • Monoisotopic Mass: 169.05390666g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 163
  • 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: 1.5
  • Topological Polar Surface Area: 39.2?2

Experimental Properties

  • Density: 1.197±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 238.9±25.0 oC (760 Torr),
  • Flash Point: 98.3±23.2 oC,
  • Solubility: Slightly soluble (5.4 g/l) (25 o C),
  • PSA: 39.19000
  • LogP: 1.39740

Ethyl 2-fluoropyridine-3-carboxylate Customs Data

  • HS CODE:2933399090
  • Customs Data:

    China Customs Code:

    2933399090

    Overview:

    2933399090. Other compounds with non fused pyridine rings in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Ethyl 2-fluoropyridine-3-carboxylate Pricemore >>

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Ethyl 2-fluoropyridine-3-carboxylate Production Method

Additional information on Ethyl 2-fluoropyridine-3-carboxylate

Ethyl 2-fluoropyridine-3-carboxylate (CAS No. 113898-56-9): A Key Intermediate in Modern Pharmaceutical Synthesis

Ethyl 2-fluoropyridine-3-carboxylate, identified by its CAS number 113898-56-9, is a versatile and highly valuable intermediate in the realm of pharmaceutical chemistry. This compound, featuring a fluorinated pyridine core and a carboxylate ester group, has garnered significant attention in recent years due to its utility in the synthesis of bioactive molecules. The presence of a fluorine atom at the 2-position of the pyridine ring imparts unique electronic and steric properties, making it an attractive scaffold for drug discovery and development.

The< strong>Ethyl 2-fluoropyridine-3-carboxylate molecule serves as a critical building block in the construction of more complex pharmacophores. Its structural features allow for facile modifications at both the carboxylate and fluorine positions, enabling chemists to tailor molecular properties such as solubility, bioavailability, and metabolic stability. These attributes are particularly important in the design of novel therapeutic agents targeting various diseases, including cancer, infectious disorders, and neurological conditions.

In recent years, there has been a surge in research focusing on fluorinated heterocycles due to their enhanced binding affinity and metabolic resistance compared to their non-fluorinated counterparts. The< strong>fluoropyridine moiety, in particular, has been extensively studied for its role in modulating receptor interactions and improving drug efficacy. Ethyl 2-fluoropyridine-3-carboxylate is no exception, with its applications spanning across multiple therapeutic areas.

One of the most compelling aspects of< strong>Ethyl 2-fluoropyridine-3-carboxylate is its role in the synthesis of kinase inhibitors. Kinases are enzymes that play a pivotal role in cell signaling pathways, and their dysregulation is often associated with various diseases, most notably cancer. By incorporating this intermediate into drug candidates, researchers can develop molecules that selectively inhibit aberrant kinase activity. For instance, studies have demonstrated that derivatives of< strong>Ethyl 2-fluoropyridine-3-carboxylate exhibit potent inhibitory effects against tyrosine kinases, making them promising candidates for further development.

The carboxylate ester group in< strong>Ethyl 2-fluoropyridine-3-carboxylate also provides a versatile handle for further functionalization. This functionality can be hydrolyzed to yield a free carboxylic acid group or converted into other derivatives such as amides or esters. Such transformations are essential for linking this intermediate to other pharmacophores or for modifying its physicochemical properties. This adaptability makes it an indispensable tool in medicinal chemistry libraries.

Another area where< strong>Ethyl 2-fluoropyridine-3-carboxylate has shown promise is in the development of antiviral agents. The fluoro-pyridine scaffold has been found to enhance the antiviral activity of several compounds by improving their ability to interact with viral targets. For example, researchers have utilized this intermediate to synthesize inhibitors of viral proteases and polymerases, which are crucial for viral replication. The< strong>CAS No. 113898-56-9-labeled compound has been instrumental in these efforts, providing a scaffold that can be modified to target specific viral strains.

The synthesis of< strong>Ethyl 2-fluoropyridine-3-carboxylate itself is another area of interest within the chemical community. While several synthetic routes have been reported, recent advances have focused on developing more efficient and sustainable methods. These methods often involve transition-metal-catalyzed reactions or biocatalytic approaches that minimize waste and improve yields. Such innovations are crucial for ensuring a steady supply of this valuable intermediate while adhering to green chemistry principles.

The growing demand for< strong>Ethyl 2-fluoropyridine-3-carboxylate has also spurred interest in process optimization and scale-up procedures. Industrial manufacturers are continuously refining their synthetic routes to meet the needs of pharmaceutical companies without compromising on quality or cost-effectiveness. This includes optimizing reaction conditions, improving purification techniques, and developing robust analytical methods to ensure product consistency.

In conclusion,< strong>Ethyl 2-fluoropyridine-3-carboxylate (CAS No.< strong>113898-56-9) is a cornerstone compound in modern pharmaceutical synthesis. Its unique structural features make it an invaluable intermediate for developing novel therapeutic agents across various disease areas. As research continues to uncover new applications and synthetic methodologies, this compound will undoubtedly remain at the forefront of drug discovery efforts.

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