Cas no 114429-07-1 (tert-Butyl 2-cyanonicotinate)

tert-Butyl 2-cyanonicotinate structure
tert-Butyl 2-cyanonicotinate structure
Product Name:tert-Butyl 2-cyanonicotinate
CAS No:114429-07-1
MF:C11H12N2O2
MW:204.225182533264
CID:132384
PubChem ID:29921653
Update Time:2025-05-26

tert-Butyl 2-cyanonicotinate Chemical and Physical Properties

Names and Identifiers

    • tert-Butyl 2-cyanonicotinate
    • 3-Pyridinecarboxylicacid, 2-cyano-, 1,1-dimethylethyl ester
    • tert-butyl 2-cyanopyridine-3-carboxylate
    • TERT-BUTYL-2-CYANONICTINATE
    • AB31412
    • AC-14265
    • AK140225
    • KB-61426
    • Tert-butyl-2-cyanonicotinate
    • AKOS015908934
    • 3-Pyridinecarboxylicacid,2-cyano-,1,1-dimethylethyl ester
    • DTXSID90652153
    • FT-0693987
    • tert-Butyl2-cyanonicotinate
    • 114429-07-1
    • 3-Pyridinecarboxylic acid, 2-cyano-, 1,1-dimethylethyl ester
    • Inchi: 1S/C11H12N2O2/c1-11(2,3)15-10(14)8-5-4-6-13-9(8)7-12/h4-6H,1-3H3
    • InChI Key: IEELOAPOCDWITJ-UHFFFAOYSA-N
    • SMILES: O(C(C1C(C#N)=NC=CC=1)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 204.08996
  • Monoisotopic Mass: 204.09
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 285
  • 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
  • Topological Polar Surface Area: 63A^2
  • XLogP3: 1.7

Experimental Properties

  • Density: 1.14
  • Boiling Point: 337°Cat760mmHg
  • Flash Point: 157.6°C
  • Refractive Index: 1.517
  • PSA: 62.98

tert-Butyl 2-cyanonicotinate Pricemore >>

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Additional information on tert-Butyl 2-cyanonicotinate

tert-Butyl 2-cyanonicotinate: A Comprehensive Overview

tert-Butyl 2-cyanonicotinate, also known by its CAS number CAS No. 114429-07-1, is a chemical compound that has garnered significant attention in the fields of organic chemistry and materials science. This compound, characterized by its unique structure and properties, has been the subject of extensive research in recent years. The molecule consists of a tert-butyl group attached to a 2-cyanonicotinate moiety, which imparts it with distinctive chemical and physical characteristics.

The synthesis of tert-butyl 2-cyanonicotinate involves a series of carefully controlled reactions, often employing advanced catalytic techniques to ensure high yield and purity. Recent studies have focused on optimizing these synthesis pathways, leveraging green chemistry principles to minimize environmental impact. For instance, researchers have explored the use of biodegradable catalysts and solvent systems to enhance the sustainability of the production process.

One of the most notable applications of tert-butyl 2-cyanonicotinate is in the field of materials science, where it serves as a precursor for the synthesis of advanced polymers and composites. Its ability to undergo polymerization under specific conditions makes it highly valuable in the development of high-performance materials for aerospace, automotive, and electronics industries. Furthermore, its thermal stability and mechanical properties have been extensively studied, revealing its potential for use in high-temperature applications.

In addition to its industrial applications, tert-butyl 2-cyanonicotinate has also found relevance in pharmaceutical research. Its structural similarity to certain bioactive molecules has led to its use as an intermediate in drug discovery programs. Recent findings suggest that derivatives of this compound may exhibit promising anti-inflammatory and antioxidant properties, opening new avenues for therapeutic development.

The physical properties of tert-butyl 2-cyanonicotinate, including its melting point, solubility, and spectroscopic characteristics, have been thoroughly investigated. These studies have provided valuable insights into its behavior under various conditions, enabling researchers to tailor its properties for specific applications. For example, its high solubility in organic solvents makes it an ideal candidate for use in solution-based chemical reactions.

From an environmental standpoint, understanding the degradation pathways of tert-butyl 2-cyanonicotinate is crucial for assessing its ecological impact. Recent research has focused on identifying microorganisms capable of metabolizing this compound, with promising results indicating that certain bacterial strains can effectively break it down under controlled conditions.

In conclusion, tert-butyl 2-cyanonicotinate, with its CAS number CAS No. 114429-07-1, stands as a versatile and multifaceted compound with applications spanning multiple disciplines. As research continues to uncover new insights into its properties and potential uses, this compound is poised to play an increasingly important role in both industrial and scientific contexts.

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