Cas no 4070-90-0 ((but-3-yn-2-yl)(methyl)amine)

Technical Introduction: (But-3-yn-2-yl)(methyl)amine is a secondary amine featuring both an alkyne and methyl functional group, making it a versatile intermediate in organic synthesis. Its reactive terminal alkyne moiety enables participation in click chemistry, such as copper-catalyzed azide-alkyne cycloaddition (CuAAC), while the amine group allows for further derivatization. This compound is particularly useful in pharmaceutical and materials science research, where its bifunctional nature facilitates the construction of complex molecular architectures. High purity grades ensure consistent performance in coupling reactions and other synthetic applications. Proper handling under inert conditions is recommended due to potential sensitivity to air or moisture.
(but-3-yn-2-yl)(methyl)amine structure
(but-3-yn-2-yl)(methyl)amine structure
Product Name:(but-3-yn-2-yl)(methyl)amine
CAS No:4070-90-0
MF:C5H9N
MW:83.1316611766815
CID:926072
PubChem ID:12632903
Update Time:2025-05-19

(but-3-yn-2-yl)(methyl)amine Chemical and Physical Properties

Names and Identifiers

    • 3-methylamino-1-butyne
    • N-methylbut-3-yn-2-amine
    • (but-3-yn-2-yl)(methyl)amine
    • 4070-90-0
    • DTXSID10505071
    • [(2S)-but-3-yn-2-yl](methyl)amine
    • AKOS006239023
    • EN300-182523
    • Inchi: 1S/C5H9N/c1-4-5(2)6-3/h1,5-6H,2-3H3
    • InChI Key: SEDYEJKMKNWLGX-UHFFFAOYSA-N
    • SMILES: N(C)C(C#C)C

Computed Properties

  • Exact Mass: 83.07357
  • Monoisotopic Mass: 83.073499291g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 6
  • Rotatable Bond Count: 1
  • Complexity: 67.3
  • 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: 0.3
  • Topological Polar Surface Area: 12?2

Experimental Properties

  • PSA: 12.03

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Additional information on (but-3-yn-2-yl)(methyl)amine

Introduction to (but-3-yn-2-yl)(methyl)amine and Its Applications in Modern Chemical Research

(but-3-yn-2-yl)(methyl)amine, with the CAS number 4070-90-0, is a significant compound in the field of organic chemistry and pharmaceutical research. This molecule, characterized by its unique structural properties, has garnered attention due to its versatile applications in synthesizing complex molecules and its potential role in developing novel therapeutic agents.

The chemical structure of (but-3-yn-2-yl)(methyl)amine consists of a butynyl group attached to a methylamine moiety. This configuration imparts distinct reactivity and functionalization possibilities, making it a valuable intermediate in various synthetic pathways. The presence of the triple bond in the butynyl group allows for diverse chemical transformations, including addition reactions, cyclizations, and cross-coupling reactions, which are pivotal in constructing intricate molecular frameworks.

In recent years, the pharmaceutical industry has shown increasing interest in exploring novel scaffolds for drug development. (but-3-yn-2-yl)(methyl)amine has emerged as a promising building block due to its ability to integrate into complex pharmacophores. Researchers have leveraged its structural features to design molecules with enhanced binding affinity and improved pharmacokinetic profiles. For instance, studies have demonstrated its utility in synthesizing kinase inhibitors, which are critical in treating cancers and inflammatory diseases.

One of the most compelling aspects of (but-3-yn-2-yl)(methyl)amine is its role in facilitating transition-metal-catalyzed reactions. These reactions are essential for constructing carbon-carbon bonds efficiently, a cornerstone of organic synthesis. The triple bond's reactivity allows for palladium-catalyzed cross-coupling reactions, such as the Suzuki-Miyaura and Heck couplings, which are widely employed in the synthesis of biaryl compounds. These compounds are prevalent in many pharmaceuticals and agrochemicals due to their biological activity.

Moreover, the amine functionality in (but-3-yn-2-yl)(methyl)amine provides opportunities for further derivatization. It can be easily converted into amides, ureas, and other heterocyclic systems through nucleophilic substitution reactions. These derivatives have shown potential in medicinal chemistry as they can modulate biological targets by altering electronic and steric properties. Recent research has highlighted its application in developing antiviral agents, where the precise tuning of molecular structure is crucial for efficacy.

The compound's stability under various reaction conditions also makes it a preferred choice for synthetic chemists. Unlike some reactive intermediates that require stringent handling, (but-3-yn-2-yl)(methyl)amine remains stable under standard laboratory conditions, allowing for straightforward handling and integration into multi-step syntheses. This stability is particularly advantageous when scaling up reactions from laboratory to industrial settings.

In conclusion, (but-3-yn-2-yl)(methyl)amine (CAS no 4070-90-0) is a versatile compound with significant implications in modern chemical research. Its unique structural features enable diverse synthetic applications, making it indispensable in pharmaceutical development. As research continues to uncover new methodologies and applications, this compound is poised to play an even more prominent role in the creation of innovative therapeutic agents.

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