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CS-W001157 4
Total: USD 88.00

1-Eth-1-ynyl-4-(pentyloxy)benzene

  • CAS No. 79887-16-4

  • Cat. No. CS-W016784
  • Molecule weight188.27
  • Purity≥96%
  • MDL No.MFCD00173877

*For research and further manufacturing use only, not for direct human use.

1-Eth-1-ynyl-4-(pentyloxy)benzene|CS-W016784

Structure of 79887-16-4

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General Information

  • CAS No. 79887-16-4
  • Cat. No. CS-W016784
  • Purity ≥96%
  • MDL No. MFCD00173877
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₆O
  • Molecular Weight 188.27
  • Synonym(s) 4-Pentyloxyphenylacetylene
  • SMILES CCCCCOC1=CC=C(C=C1)C#C

Description

1-Eth-1-ynyl-4-(pentyloxy)benzene features a terminal alkyne group appended to a pentyloxy-substituted aromatic ring, enabling efficient copper-catalyzed coupling reactions. This structure combines enhanced solubility from the aliphatic chain with high reactivity in click chemistry applications, offering robust performance under standard conditions.

Application

1-Eth-1-ynyl-4-(pentyloxy)benzene serves as a versatile building block in transition-metal-catalyzed coupling reactions, enabling efficient access to conjugated enynes and functionalized aromatic systems. Its terminal alkyne functionality exhibits high compatibility with Sonogashira and Glaser-type couplings, while the pentyloxy substituent provides enhanced solubility and stability under standard reaction conditions. This compound facilitates straightforward purification and is well-suited for iterative synthesis workflows in medicinal chemistry and materials science applications.

Synthesis

  • Route1
    • null|null
      540492-15-7
    • ~84%
    • In-stock
      1-Eth-1-ynyl-4-(pentyloxy)benzene|CS-W016784
      79887-16-4

    References

    • Journal of Materials Chemistry, , vol. 22, # 17 p. 8394 - 8398
  • Route2
    • null|null
      116223-55-3
    • ~%
    • In-stock
      1-Eth-1-ynyl-4-(pentyloxy)benzene|CS-W016784
      79887-16-4

    References

    • Molecular Crystals and Liquid Crystals Science and Technology Section A: Molecular Crystals and Liquid Crystals, , vol. 348, p. 153 - 165
  • Route3
    • null|null
      125151-55-5
    • ~%
    • In-stock
      1-Eth-1-ynyl-4-(pentyloxy)benzene|CS-W016784
      79887-16-4

    References

    • Bulletin of the Chemical Society of Japan, , vol. 63, # 4 p. 1020 - 1025

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   9.23
  • LogP   3.2369
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   5

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