Cas no 868769-75-9 (2-Pyridinecarboxylic acid, 6-(hydroxymethyl)-, 1,1-dimethylethyl ester)

2-Pyridinecarboxylic acid, 6-(hydroxymethyl)-, 1,1-dimethylethyl ester structure
868769-75-9 structure
Product Name:2-Pyridinecarboxylic acid, 6-(hydroxymethyl)-, 1,1-dimethylethyl ester
CAS No:868769-75-9
MF:C11H15NO3
MW:209.241703271866
CID:1863818
PubChem ID:58105221
Update Time:2025-11-02

2-Pyridinecarboxylic acid, 6-(hydroxymethyl)-, 1,1-dimethylethyl ester Chemical and Physical Properties

Names and Identifiers

    • 2-Pyridinecarboxylic acid, 6-(hydroxymethyl)-, 1,1-dimethylethyl ester
    • AKSYIQYJDJXCBX-UHFFFAOYSA-N
    • tert-butyl 6-(hydroxymethyl)pyridine-2-carboxylate
    • DB-419853
    • F94984
    • tert-Butyl 6-(hydroxymethyl)picolinate
    • 868769-75-9
    • t-butyl 6-hydroxymethylpyridine-2-carboxylate
    • SCHEMBL949804
    • Inchi: 1S/C11H15NO3/c1-11(2,3)15-10(14)9-6-4-5-8(7-13)12-9/h4-6,13H,7H2,1-3H3
    • InChI Key: AKSYIQYJDJXCBX-UHFFFAOYSA-N
    • SMILES: O(C(C1C=CC=C(CO)N=1)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 209.10519334g/mol
  • Monoisotopic Mass: 209.10519334g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 222
  • 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: 1.2
  • Topological Polar Surface Area: 59.4?2

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Additional information on 2-Pyridinecarboxylic acid, 6-(hydroxymethyl)-, 1,1-dimethylethyl ester

Comprehensive Overview of 2-Pyridinecarboxylic acid, 6-(hydroxymethyl)-, 1,1-dimethylethyl ester (CAS No. 868769-75-9)

The compound 2-Pyridinecarboxylic acid, 6-(hydroxymethyl)-, 1,1-dimethylethyl ester (CAS No. 868769-75-9) is a specialized organic molecule with significant applications in pharmaceutical and chemical research. This ester derivative of pyridinecarboxylic acid is characterized by its unique structural features, including a hydroxymethyl group at the 6-position and a tert-butyl ester moiety. Its molecular formula and weight make it a versatile intermediate in synthetic chemistry, particularly in the development of bioactive compounds and fine chemicals.

In recent years, the demand for pyridine-based derivatives has surged due to their role in drug discovery and material science. Researchers frequently search for terms like "pyridinecarboxylic acid derivatives", "hydroxymethyl pyridine esters", and "CAS 868769-75-9 applications" to explore its potential. The compound's stability and reactivity profile make it a valuable building block for constructing complex molecules, aligning with the growing interest in green chemistry and sustainable synthesis.

The tert-butyl ester group in 2-Pyridinecarboxylic acid, 6-(hydroxymethyl)-, 1,1-dimethylethyl ester enhances its solubility in organic solvents, facilitating its use in coupling reactions and catalytic processes. This property is particularly relevant in the context of peptide synthesis and metal-organic frameworks (MOFs), where precise functionalization is critical. Users often inquire about "tert-butyl ester protection" and "pyridine derivatives in catalysis", highlighting the compound's interdisciplinary relevance.

From a synthetic perspective, the hydroxymethyl group at the 6-position offers opportunities for further derivatization, such as oxidation to aldehydes or conversion to halides. This flexibility has led to increased interest in click chemistry and bioconjugation techniques, where the compound serves as a precursor for labeling and cross-linking applications. Searches for "hydroxymethyl pyridine modifications" and "CAS 868769-75-9 synthesis" reflect this trend.

Analytical techniques like HPLC, NMR, and mass spectrometry are commonly employed to characterize 2-Pyridinecarboxylic acid, 6-(hydroxymethyl)-, 1,1-dimethylethyl ester, ensuring purity and consistency for research purposes. The compound's spectral data and chromatographic behavior are frequently discussed in forums and publications, addressing queries such as "NMR peaks for pyridine esters" and "HPLC methods for CAS 868769-75-9".

In the pharmaceutical sector, this compound is explored for its potential as a scaffold in kinase inhibitors and antiviral agents. Its pyridine core mimics natural heterocycles, making it a candidate for structure-activity relationship (SAR) studies. Recent searches for "pyridine esters in drug design" and "CAS 868769-75-9 biological activity" underscore its relevance in medicinal chemistry.

Environmental and regulatory considerations also play a role in the compound's usage. While it is not classified as hazardous, proper handling and storage are emphasized in safety data sheets (SDS). Researchers often seek information on "pyridine ester stability" and "CAS 868769-75-9 storage conditions" to ensure compliance with laboratory protocols.

In summary, 2-Pyridinecarboxylic acid, 6-(hydroxymethyl)-, 1,1-dimethylethyl ester (CAS No. 868769-75-9) is a multifaceted compound with broad applications in synthetic and pharmaceutical chemistry. Its structural features and reactivity continue to inspire innovations in organic synthesis, catalysis, and drug development, making it a subject of ongoing scientific inquiry.

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