Cas no 51789-75-4 (2-cyanobutanoic acid)

2-Cyanobutanoic acid is a versatile organic compound characterized by the presence of both a nitrile (–CN) and a carboxylic acid (–COOH) functional group on a butanoic acid backbone. This bifunctional structure makes it a valuable intermediate in organic synthesis, particularly for the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The nitrile group offers reactivity for further transformations, such as hydrolysis to carboxylic acids or reduction to amines, while the carboxylic acid moiety enables esterification or amidation reactions. Its well-defined reactivity profile and compatibility with various synthetic conditions enhance its utility in multi-step synthesis. The compound is typically handled under standard laboratory conditions, requiring appropriate safety measures due to its potential irritant properties.
2-cyanobutanoic acid structure
2-cyanobutanoic acid structure
Product Name:2-cyanobutanoic acid
CAS No:51789-75-4
MF:C5H7NO2
MW:113.114581346512
CID:387256
PubChem ID:255337
Update Time:2025-06-11

2-cyanobutanoic acid Chemical and Physical Properties

Names and Identifiers

    • Butanoic acid, 2-cyano-
    • 1-Cyanopropane-1-carboxylic acid
    • 2-cyanobutanoic acid
    • α-Ethylcyanoacetic acid
    • AC1L5S6K
    • AC1Q4QIQ
    • AR-1E0857
    • CCG-40379
    • CTK1H5160
    • NSC80742
    • NSC-80742
    • 51789-75-4
    • MFCD14544817
    • EN300-150120
    • CS-0453198
    • 1-cyanopropanecarboxylic acid
    • AKOS012576352
    • XNINAOUGJUYOQX-UHFFFAOYSA-N
    • 2-cyanobutanoicacid
    • DTXSID70292192
    • Cyanbuttersaure
    • Z1117899421
    • SCHEMBL70684
    • MDL: MFCD14544817
    • Inchi: 1S/C5H7NO2/c1-2-4(3-6)5(7)8/h4H,2H2,1H3,(H,7,8)
    • InChI Key: XNINAOUGJUYOQX-UHFFFAOYSA-N
    • SMILES: OC(C(C#N)CC)=O

Computed Properties

  • Exact Mass: 113.04771
  • Monoisotopic Mass: 113.048
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 2
  • Complexity: 133
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.6
  • Topological Polar Surface Area: 61.1?2

Experimental Properties

  • Density: 1.137
  • Boiling Point: 266.4°Cat760mmHg
  • Flash Point: 114.9°C
  • Refractive Index: 1.448
  • PSA: 61.09
  • LogP: 0.62078
  • Vapor Pressure: 0.0±1.1 mmHg at 25°C

2-cyanobutanoic acid Security Information

2-cyanobutanoic acid Pricemore >>

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Additional information on 2-cyanobutanoic acid

Recent Advances in the Study of 2-Cyanobutanoic Acid (CAS 51789-75-4) in Chemical Biology and Pharmaceutical Research

2-Cyanobutanoic acid (CAS 51789-75-4) has emerged as a compound of significant interest in chemical biology and pharmaceutical research due to its versatile applications in drug synthesis and biochemical studies. Recent studies have highlighted its role as a key intermediate in the synthesis of various pharmacologically active molecules, including chiral compounds and enzyme inhibitors. This research brief consolidates the latest findings on the synthesis, characterization, and applications of 2-cyanobutanoic acid, providing insights into its potential in drug discovery and development.

A recent study published in the Journal of Medicinal Chemistry explored the enantioselective synthesis of 2-cyanobutanoic acid derivatives using novel catalytic systems. The researchers demonstrated that the compound could be efficiently synthesized with high enantiomeric purity, which is critical for its application in chiral drug development. The study also investigated the compound's stability under physiological conditions, revealing promising results for its use in vivo.

In another groundbreaking study, 2-cyanobutanoic acid was utilized as a precursor for the synthesis of potent enzyme inhibitors targeting metabolic disorders. The research, conducted by a team at Harvard Medical School, showcased the compound's ability to modulate key enzymatic pathways involved in lipid metabolism. These findings open new avenues for the development of therapeutics for conditions such as obesity and diabetes.

Furthermore, advancements in analytical techniques have enabled more precise characterization of 2-cyanobutanoic acid and its derivatives. High-performance liquid chromatography (HPLC) and nuclear magnetic resonance (NMR) spectroscopy have been employed to study the compound's structural properties and interactions with biological targets. These techniques have provided valuable data for optimizing its pharmacological profile.

The pharmaceutical industry has also recognized the potential of 2-cyanobutanoic acid in large-scale drug manufacturing. Recent patents filed by leading pharmaceutical companies highlight its use in streamlined synthetic routes for blockbuster drugs. The compound's cost-effectiveness and scalability make it an attractive candidate for industrial applications.

In conclusion, the latest research on 2-cyanobutanoic acid (CAS 51789-75-4) underscores its importance in chemical biology and pharmaceutical sciences. Its role as a versatile intermediate, coupled with its potential in drug discovery, positions it as a compound of great interest for future studies. Continued exploration of its applications and optimization of synthetic methods will likely yield further breakthroughs in the field.

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