Cas no 4250-86-6 (Butanoic acid, 2-imino-)

Butanoic acid, 2-imino-, is a versatile organic compound characterized by its imino and carboxylic acid functional groups. This structure imparts reactivity suitable for applications in organic synthesis, particularly as an intermediate in the preparation of heterocyclic compounds and pharmaceuticals. Its bifunctional nature allows for selective modifications, enabling the formation of amides, esters, or other derivatives. The compound's stability under controlled conditions ensures consistent performance in synthetic workflows. Additionally, its solubility in polar solvents facilitates handling in laboratory settings. Butanoic acid, 2-imino-, is valued for its role in constructing complex molecular frameworks, making it a useful reagent in medicinal chemistry and materials science research.
Butanoic acid, 2-imino- structure
Butanoic acid, 2-imino- structure
Product Name:Butanoic acid, 2-imino-
CAS No:4250-86-6
MF:C4H7NO2
MW:101.103881120682
CID:3983023
PubChem ID:18454345
Update Time:2025-06-07

Butanoic acid, 2-imino- Chemical and Physical Properties

Names and Identifiers

    • Butanoic acid, 2-imino-
    • 2-iminobutanoic acid
    • AKOS006388047
    • 2-iminiobutanoate
    • SCHEMBL1574222
    • UNII-9HD6EJ6VQX
    • 4250-86-6
    • a-imino butyric acid
    • 2-iminobutanoic acid zwitterion
    • 2-Iminobutyric-acid
    • CHEBI:76872
    • DTXSID301344254
    • 9HD6EJ6VQX
    • C20905
    • Q27146088
    • 2-iminobutyric acid
    • CHEBI:76545
    • Butyric acid, 2-imino-
    • Inchi: 1S/C4H7NO2/c1-2-3(5)4(6)7/h5H,2H2,1H3,(H,6,7)
    • InChI Key: WRBRCYPPGUCRHW-UHFFFAOYSA-N
    • SMILES: C(O)(=O)C(=N)CC

Computed Properties

  • Exact Mass: 101.047678466Da
  • Monoisotopic Mass: 101.047678466Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 2
  • Complexity: 97.9
  • 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: 0.2
  • Topological Polar Surface Area: 61.2?2

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Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
EN300-6739550-1.0g
2-iminobutanoic acid
4250-86-6
1.0g
$0.0 2023-01-10

Additional information on Butanoic acid, 2-imino-

Butanoic acid, 2-imino- (CAS No. 4250-86-6): A Comprehensive Overview

Butanoic acid, 2-imino- (CAS No. 4250-86-6) is a significant compound in the field of organic chemistry and pharmaceutical research. This compound, characterized by its unique structural and chemical properties, has garnered considerable attention due to its potential applications in various biochemical pathways and synthetic processes. The presence of the 2-imino group in its molecular structure imparts distinct reactivity and functionality, making it a valuable intermediate in the synthesis of more complex molecules.

The chemical formula of Butanoic acid, 2-imino- is C?H?N?O?, reflecting its composition of carbon, hydrogen, nitrogen, and oxygen atoms. This structure not only defines its physical and chemical characteristics but also influences its behavior in different chemical environments. The compound is known for its role in the development of pharmaceuticals and agrochemicals, where its reactivity and stability make it a preferred choice for various synthetic routes.

In recent years, the study of Butanoic acid, 2-imino- has been further advanced by innovative research methodologies and interdisciplinary approaches. Researchers have been exploring its applications in drug discovery, particularly in the synthesis of bioactive molecules that target specific enzymatic pathways. The compound's ability to act as a precursor in the formation of heterocyclic compounds has opened new avenues in medicinal chemistry.

One of the most intriguing aspects of Butanoic acid, 2-imino- is its involvement in the synthesis of peptidomimetics. Peptidomimetics are designed to mimic the biological activity of natural peptides while avoiding their limitations, such as poor stability or immunogenicity. The 2-imino group facilitates the formation of amide bonds, which are crucial for constructing these mimetics. This has led to the development of novel therapeutic agents that exhibit enhanced pharmacological properties.

Moreover, the compound has shown promise in the field of materials science. Its structural versatility allows for the creation of polymers with tailored properties, which can be utilized in various industrial applications. The reactivity of the 2-imino group enables cross-linking reactions, leading to the formation of high-performance materials with applications ranging from coatings to advanced composites.

The synthesis of Butanoic acid, 2-imino- involves multi-step organic reactions that highlight the compound's synthetic utility. Advanced catalytic methods have been employed to improve yield and purity, ensuring that researchers can obtain high-quality starting materials for their investigations. These synthetic strategies have been documented in numerous scientific publications, providing a robust framework for further exploration.

Recent studies have also focused on the biological activity of derivatives of Butanoic acid, 2-imino-. Researchers have identified several analogs that exhibit inhibitory effects on enzymes involved in metabolic pathways relevant to diseases such as diabetes and cancer. The structural modifications introduced into these derivatives have been carefully optimized to enhance their binding affinity and selectivity.

The role of computational chemistry in understanding the behavior of Butanoic acid, 2-imino- cannot be overstated. Molecular modeling techniques have enabled researchers to predict the interactions between this compound and biological targets with high accuracy. This has accelerated the drug discovery process by allowing virtual screening of potential candidates before experimental validation.

In conclusion, Butanoic acid, 2-imino- (CAS No. 4250-86-6) is a versatile compound with significant implications in pharmaceuticals and materials science. Its unique structural features and reactivity make it a valuable building block for synthesizing complex molecules with diverse applications. As research continues to uncover new aspects of this compound's potential, it is likely to remain a cornerstone in both academic and industrial settings.

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