Cas no 111054-54-7 (1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-, ethyl ester)

1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-, ethyl ester is a heterocyclic ester derivative with potential applications in organic synthesis and pharmaceutical intermediates. Its structure features a partially hydrogenated pyridine ring, which may enhance stability and reactivity in certain chemical transformations. The ethyl ester group improves solubility in organic solvents, facilitating its use in reactions such as condensations or nucleophilic substitutions. This compound is particularly valuable for researchers exploring novel heterocyclic frameworks or developing bioactive molecules. Its balanced lipophilicity and functional group versatility make it a useful building block in medicinal chemistry and material science applications. Proper handling under inert conditions is recommended due to potential sensitivity to moisture or oxidation.
1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-, ethyl ester structure
111054-54-7 structure
Product Name:1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-, ethyl ester
CAS No:111054-54-7
MF:C8H13NO2
MW:155.194322347641
CID:1196247
PubChem ID:10997267
Update Time:2025-10-28

1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • 1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-, ethyl ester
    • ethyl 3,4-dihydro-2H-pyridine-1-carboxylate
    • 111054-54-7
    • 1-Ethoxycarbonyl-3,4-dihydro-2H-pyridine
    • SCHEMBL25759298
    • N-carboethoxydihydropyridine
    • DTXSID10451185
    • ethyl 3,4-dihydropyridine-1(2H)-carboxylate
    • MFCD28975231
    • Inchi: 1S/C8H13NO2/c1-2-11-8(10)9-6-4-3-5-7-9/h4,6H,2-3,5,7H2,1H3
    • InChI Key: ATILYONFEASZNH-UHFFFAOYSA-N
    • SMILES: O(CC)C(N1C=CCCC1)=O

Computed Properties

  • Exact Mass: 155.09469
  • Monoisotopic Mass: 155.094628657g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 166
  • 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: 1.3
  • Topological Polar Surface Area: 29.5?2

Experimental Properties

  • PSA: 29.54

1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-, ethyl ester Pricemore >>

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Additional information on 1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-, ethyl ester

1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-, ethyl ester (CAS No. 111054-54-7): A Comprehensive Overview in Modern Chemical Biology

The compound 1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-, ethyl ester, identified by the CAS number 111054-54-7, represents a significant molecule in the realm of chemical biology and pharmaceutical research. This compound, belonging to the pyridine derivative family, has garnered attention due to its structural versatility and potential biological activities. The ethyl ester moiety enhances its solubility and reactivity, making it a valuable intermediate in synthetic chemistry and drug development.

Pyridine derivatives are well-documented for their broad spectrum of biological interactions, including roles as pharmacophores in various therapeutic agents. The structural framework of 1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-, ethyl ester allows for modifications that can fine-tune its pharmacological properties. Recent studies have highlighted its utility in the synthesis of novel compounds with potential applications in treating neurological disorders and infectious diseases.

In the context of modern drug discovery, the compound's ability to serve as a scaffold for further derivatization has been exploited by researchers aiming to develop more effective therapeutic agents. The dihydro substitution at the 3 and 4 positions introduces conformational flexibility, which is often a desirable feature in drug candidates. This flexibility can influence binding affinity and metabolic stability, critical factors in drug design.

One of the most compelling aspects of 1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-, ethyl ester is its role in the development of small-molecule inhibitors targeting specific enzymatic pathways. For instance, studies have demonstrated its efficacy in modulating enzymes involved in inflammation and oxidative stress. These pathways are implicated in a variety of chronic diseases, making this compound a promising candidate for further investigation.

The synthesis of 1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-, ethyl ester involves multi-step organic reactions that highlight the compound's synthetic accessibility. Advanced synthetic methodologies have enabled researchers to produce this compound with high purity and yield, facilitating its use in downstream applications. Techniques such as catalytic hydrogenation and esterification play crucial roles in constructing its core structure.

Recent advancements in computational chemistry have further enhanced the understanding of 1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-, ethyl ester's interactions with biological targets. Molecular docking studies have identified potential binding sites on proteins relevant to disease pathways. These insights have guided the design of analogs with improved pharmacokinetic profiles and reduced side effects.

The compound's derivatives have shown promise in preclinical trials as potential treatments for conditions such as cancer and neurodegenerative diseases. By leveraging its structural features, researchers have been able to develop molecules that exhibit targeted action while minimizing off-target effects. This underscores the importance of 1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-, ethyl ester as a building block in medicinal chemistry.

The ethical considerations surrounding drug development are also pertinent when discussing compounds like 1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-, ethyl ester. Ensuring that research is conducted responsibly and with consideration for environmental impact is paramount. Sustainable synthetic routes and green chemistry principles are being increasingly adopted to minimize waste and reduce energy consumption.

In conclusion,1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-, ethyl ester (CAS No. 111054-54-7) represents a cornerstone in chemical biology and pharmaceutical innovation. Its structural attributes and potential biological activities make it a compelling subject for further research. As our understanding of molecular interactions continues to evolve,1(2H)-Pyridinecarboxylic acid, ethyl ester, will undoubtedly play a pivotal role in shaping the future of drug discovery and development.

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