Cas no 22273-77-4 (Benzene, [(3-butynyloxy)methyl]-)

Benzene, [(3-butynyloxy)methyl]- is a specialized aromatic compound featuring a butynyloxymethyl substituent attached to a benzene ring. This structure combines the reactivity of an alkyne group with the stability of an aromatic system, making it a valuable intermediate in organic synthesis. The compound is particularly useful in click chemistry applications, where the terminal alkyne can participate in copper-catalyzed azide-alkyne cycloaddition (CuAAC) reactions. Its benzene core ensures compatibility with a range of solvents and reagents, while the butynyloxy moiety provides a versatile handle for further functionalization. This product is suited for research and industrial applications requiring precise molecular modifications.
Benzene, [(3-butynyloxy)methyl]- structure
22273-77-4 structure
Product Name:Benzene, [(3-butynyloxy)methyl]-
CAS No:22273-77-4
MF:C11H12O
MW:160.212383270264
MDL:MFCD10570201
CID:1407394
PubChem ID:11008213
Update Time:2025-06-08

Benzene, [(3-butynyloxy)methyl]- Chemical and Physical Properties

Names and Identifiers

    • Benzene, [(3-butynyloxy)methyl]-
    • but-3-ynoxymethylbenzene
    • ((But-3-yn-1-yloxy)methyl)benzene
    • SCHEMBL2525303
    • QMSZFFOZKQBRIB-UHFFFAOYSA-N
    • benzyl but-3-yn-1-yl ether
    • [(BUT-3-YN-1-YLOXY)METHYL]BENZENE
    • Benzene, [(3-butyn-1-yloxy)methyl]-
    • F88639
    • ((But-3-ynyloxy)methyl)benzene
    • 22273-77-4
    • 4-benzyloxy-1-butyne
    • Benzyl 3-butynyl ether
    • DTXSID90451628
    • MDL: MFCD10570201
    • Inchi: 1S/C11H12O/c1-2-3-9-12-10-11-7-5-4-6-8-11/h1,4-8H,3,9-10H2
    • InChI Key: QMSZFFOZKQBRIB-UHFFFAOYSA-N
    • SMILES: O(CCC#C)CC1C=CC=CC=1

Computed Properties

  • Exact Mass: 160.08886
  • Monoisotopic Mass: 160.088815002g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 4
  • Complexity: 148
  • 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: 2.1
  • Topological Polar Surface Area: 9.2?2

Experimental Properties

  • PSA: 9.23

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Additional information on Benzene, [(3-butynyloxy)methyl]-

Benzene, [(3-Butynyloxy)methyl]- (CAS No. 22273-77-4): An Overview of Its Properties and Applications

Benzene, [(3-butynyloxy)methyl]- (CAS No. 22273-77-4) is a versatile organic compound that has garnered significant attention in the fields of chemistry, biochemistry, and pharmaceutical research. This compound, also known as 3-butynyloxybenzyl alcohol, is characterized by its unique molecular structure, which includes a benzene ring and a butynyl ether functional group. This combination of features makes it an intriguing candidate for various applications, particularly in the development of new materials and pharmaceuticals.

The chemical structure of Benzene, [(3-butynyloxy)methyl]- is represented by the formula C10H10O2. The presence of the butynyl ether group imparts unique reactivity and solubility properties to the molecule, making it suitable for a wide range of synthetic transformations. Recent studies have highlighted its potential in the synthesis of complex organic molecules and its role in the development of novel drug candidates.

In the context of pharmaceutical research, Benzene, [(3-butynyloxy)methyl]- has been explored for its potential as a building block in the synthesis of bioactive compounds. Its ability to undergo selective functionalization reactions makes it a valuable intermediate in the development of new therapeutic agents. For instance, researchers have utilized this compound to synthesize derivatives with enhanced biological activity and improved pharmacokinetic properties.

One notable application of Benzene, [(3-butynyloxy)methyl]- is in the field of materials science. The compound's unique chemical properties make it an excellent candidate for the synthesis of advanced polymers and coatings. Recent studies have demonstrated its use in the development of polymeric materials with enhanced mechanical strength and thermal stability. These materials have potential applications in various industries, including electronics, automotive, and aerospace.

The synthesis of Benzene, [(3-butynyloxy)methyl]- typically involves multi-step processes that require precise control over reaction conditions. Common synthetic routes include nucleophilic substitution reactions and coupling reactions. The choice of synthetic method depends on the desired purity and yield of the final product. Advances in catalytic methods have significantly improved the efficiency and selectivity of these reactions, making large-scale production more feasible.

In terms of safety and handling, Benzene, [(3-butynyloxy)methyl]- should be managed with care to ensure compliance with standard laboratory practices. While it is not classified as a hazardous material under current regulations, proper precautions should be taken to prevent exposure to skin or inhalation. Storage conditions should be controlled to maintain stability and prevent degradation.

The environmental impact of Benzene, [(3-butynyloxy)methyl]- is another important consideration. Research has shown that proper disposal methods are essential to minimize any potential environmental harm. Green chemistry principles are increasingly being applied to the synthesis and use of this compound to ensure sustainable practices throughout its lifecycle.

In conclusion, Benzene, [(3-butynyloxy)methyl]- (CAS No. 22273-77-4) is a multifaceted compound with significant potential in various scientific and industrial applications. Its unique chemical properties make it an attractive candidate for further research and development. As new synthetic methods and applications continue to emerge, this compound is likely to play an increasingly important role in advancing our understanding and capabilities in chemistry and related fields.

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