Cas no 57618-47-0 (Benzene, [(4-pentynyloxy)methyl]-)

Benzene, [(4-pentynyloxy)methyl]- is a specialized aromatic compound featuring a benzene core substituted with a [(4-pentynyloxy)methyl] functional group. This structure combines the stability of an aromatic ring with the reactivity of an alkyne moiety, making it a valuable intermediate in organic synthesis and material science. The presence of the pentynyloxy linker enhances its utility in click chemistry applications, particularly in Huisgen cycloaddition reactions, enabling efficient conjugation with azide-functionalized molecules. Its well-defined reactivity and structural versatility make it suitable for applications in pharmaceuticals, polymers, and advanced materials. The compound is typically handled under controlled conditions due to its potential sensitivity.
Benzene, [(4-pentynyloxy)methyl]- structure
57618-47-0 structure
Product Name:Benzene, [(4-pentynyloxy)methyl]-
CAS No:57618-47-0
MF:C12H14O
MW:174.238963603973
CID:344795
PubChem ID:563055
Update Time:2025-06-09

Benzene, [(4-pentynyloxy)methyl]- Chemical and Physical Properties

Names and Identifiers

    • Benzene, [(4-pentynyloxy)methyl]-
    • pent-4-ynoxymethylbenzene
    • 5-benzyloxypent-1-ine
    • ((pent-4-yn-1-yloxy)methyl)benzene
    • [(PENT-4-YN-1-YLOXY)METHYL]BENZENE
    • SCHEMBL1603273
    • UPCMLD00WJLM60
    • 57618-47-0
    • [(4-Pentynyloxy)methyl]benzene
    • 5-benzyloxy-1-pentyne
    • [(4-Pentynyloxy)methyl]benzene #
    • DTXSID50340261
    • Pent-1-yne, 5-benzyloxy-
    • G73302
    • Inchi： 1S/C12H14O/c1-2-3-7-10-13-11-12-8-5-4-6-9-12/h1,4-6,8-9H,3,7,10-11H2
    • InChI Key： DKGGHTXWRQZICB-UHFFFAOYSA-N
    • SMILES： O(CC1C=CC=CC=1)CCCC#C

Computed Properties

  • Exact Mass: 174.10452
  • Monoisotopic Mass: 174.104465066g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 5
  • Complexity: 159
  • 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: 2.5
  • Topological Polar Surface Area: 9.2?2

Experimental Properties

  • PSA: 9.23

Benzene, [(4-pentynyloxy)methyl]- Pricemore >>

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