Cas no 41282-40-0 (but-2-yn-1-amine)

But-2-yn-1-amine is a primary amine featuring a terminal alkyne group, making it a versatile building block in organic synthesis and pharmaceutical applications. Its linear structure and reactive functional groups enable efficient participation in click chemistry, particularly copper-catalyzed azide-alkyne cycloaddition (CuAAC), facilitating the synthesis of triazole derivatives. The compound’s terminal amine group allows for further derivatization, supporting the development of complex molecular architectures. Its high purity and stability under controlled conditions ensure reliable performance in research and industrial processes. But-2-yn-1-amine is particularly valuable in medicinal chemistry for designing bioactive compounds and in material science for functionalized polymers.
but-2-yn-1-amine structure
but-2-yn-1-amine structure
Product Name:but-2-yn-1-amine
CAS No:41282-40-0
MF:C4H7N
MW:69.1050808429718
CID:2685949
PubChem ID:12599998
Update Time:2025-09-27

but-2-yn-1-amine Chemical and Physical Properties

Names and Identifiers

    • but-2-yn-1-amine
    • SY357419
    • YLBIBZCIFHPPKA-UHFFFAOYSA-N
    • G67327
    • but-2-ynylamine
    • AKOS011594926
    • DB-203242
    • 2-Butyn-1-amine
    • DTXSID10503951
    • CS-0435188
    • 41282-40-0
    • 2-butyne-1-amine
    • CHEMBL4597923
    • 2-butynylamine
    • EN300-140522
    • MFCD16621828
    • DTXCID00454761
    • Inchi: 1S/C4H7N/c1-2-3-4-5/h4-5H2,1H3
    • InChI Key: YLBIBZCIFHPPKA-UHFFFAOYSA-N
    • SMILES: NCC#CC

Computed Properties

  • Exact Mass: 69.057849228g/mol
  • Monoisotopic Mass: 69.057849228g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 5
  • Rotatable Bond Count: 0
  • Complexity: 62.2
  • 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: -0.1
  • Topological Polar Surface Area: 26?2

but-2-yn-1-amine Pricemore >>

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Additional information on but-2-yn-1-amine

Properties and Applications of But-2-yn-1-amine (CAS No. 41282-40-0)

But-2-yn-1-amine, with the chemical formula C?H?N, is a versatile organic compound belonging to the class of alkynes. Its CAS number, 41282-40-0, uniquely identifies it in the chemical industry and research communities. This compound is characterized by a terminal alkyne group (-C≡CH) and an amine functional group (-NH?), making it a valuable intermediate in synthetic chemistry and pharmaceutical applications.

The molecular structure of but-2-yn-1-amine consists of a four-carbon chain with a triple bond at the second carbon and an amine substituent at the first carbon. This configuration imparts unique reactivity, enabling it to participate in various chemical transformations such as nucleophilic addition, cycloadditions, and metal-catalyzed coupling reactions. The presence of both the alkyne and amine functionalities makes it a valuable building block for constructing more complex molecules.

In recent years, but-2-yn-1-amine has garnered significant attention in the field of medicinal chemistry due to its potential as a precursor for bioactive compounds. Researchers have explored its utility in synthesizing heterocyclic scaffolds, which are prevalent in many pharmaceuticals. For instance, studies have demonstrated its role in constructing indole derivatives, which are known for their biological activities ranging from antimicrobial to anticancer properties.

One of the most compelling aspects of but-2-yn-1-amine is its reactivity with transition metals, particularly palladium and copper catalysts. These metal-catalyzed reactions enable the formation of carbon-carbon bonds, facilitating the creation of intricate molecular architectures. A notable example is the Sonogashira coupling reaction, where but-2-yn-1-amine serves as a coupling partner to introduce alkyne moieties into larger molecules. This reaction has been employed in the synthesis of complex natural products and drug candidates.

Moreover, but-2-yn-1-amine has found applications in materials science, particularly in the development of conductive polymers and organic electronics. The alkyne group can be polymerized or incorporated into π-conjugated systems, enhancing electronic properties. Recent advancements have shown its potential in creating novel materials for flexible electronics and optoelectronic devices.

The pharmaceutical industry has also leveraged but-2-yn-1-amine in the development of novel therapeutics. Researchers have utilized its structural features to design molecules that interact with biological targets such as enzymes and receptors. For example, derivatives of but-2-yn-1-amine have been investigated for their potential as kinase inhibitors, which are crucial in treating cancers and inflammatory diseases. The ability to modify both the alkyne and amine groups allows for fine-tuning of physicochemical properties, optimizing drug-like characteristics.

In academic research, but-2-yn-1-amines role as a versatile intermediate has led to numerous innovative synthetic strategies. For instance, researchers have employed it in cross-coupling reactions to construct complex cyclic structures, including those found in marine natural products. These studies highlight its importance in enabling access to structurally diverse compounds with potential biological activity.

The synthesis of but_2_yn_1_amine itself is well-documented, with multiple routes available depending on desired purity and scale. Common methods include the reduction of propargylamines or the reaction of acetylene derivatives with ammonia or amines under controlled conditions. Advances in catalytic systems have improved yields and reduced byproduct formation, making large-scale production more feasible.

Industrial applications of but_2_yn_1_amine are expanding beyond traditional pharmaceuticals into agrochemicals and specialty chemicals. Its reactivity allows for the introduction of various functional groups, making it suitable for designing molecules with specific biological activities targeting plant pathogens or pests. This adaptability underscores its broad utility across multiple sectors.

The safety profile of but_2_yn_1_amine is another critical consideration in its application. While it is not classified as hazardous under standard conditions, proper handling procedures should be followed to prevent exposure during synthesis and use. Storage conditions should maintain stability and prevent degradation due to moisture or air exposure.

Future research directions may explore new catalytic systems that enhance the efficiency of reactions involving but_2_yn_1_amines, potentially reducing costs and environmental impact. Additionally, computational methods are being increasingly employed to predict reactivity patterns and optimize synthetic pathways before experimental work begins.

In conclusion, but_2_yn_1_amines (CAS No. 41282–40–0) represents a cornerstone compound in modern synthetic chemistry with far-reaching implications across pharmaceuticals, materials science,and agrochemicals Its unique structural features enable diverse transformations,making it indispensable for researchers developing novel therapeutics,functional materials,and advanced chemical products

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