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CS-W001157 4
Total: USD 88.00

1-Phenyl-1-hexyne

  • CAS No. 1129-65-3

  • Cat. No. CS-0152398
  • Molecule weight158.24
  • Purity≥98%
  • MDL No.MFCD00039969

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

1-Phenyl-1-hexyne|CS-0152398

Structure of 1129-65-3

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General Information

  • CAS No. 1129-65-3
  • Cat. No. CS-0152398
  • Purity ≥98%
  • MDL No. MFCD00039969
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₄
  • Molecular Weight 158.24
  • Synonym(s) 1-Butyl-2-phenylacetylene
  • SMILES CCCCC#CC1=CC=CC=C1

Description

1-Phenyl-1-hexyne features a conjugated alkyne linkage between a phenyl ring and a linear hexyl chain, enabling efficient coupling reactions in cross-coupling and click chemistry. This electron-deficient alkyne integrates readily into complex molecular architectures, offering high stability under standard conditions and compatibility with palladium-catalyzed transformations.

Synthesis

  • Route1
    • null|null
      108-86-1
    • null|null
      693-02-7
    • ~90%
    • In-stock
      1-Phenyl-1-hexyne|CS-0152398
      1129-65-3

    References

    • Khalafi-Nezhad, Ali; Panahi, Farhad Green Chemistry, 2011 , vol. 13, # 9 p. 2408 - 2415
  • Route2
    • In-stock
      Iodobenzene|CS-W008603
      591-50-4
    • null|null
      693-02-7
    • ~96%
    • In-stock
      1-Phenyl-1-hexyne|CS-0152398
      1129-65-3

    References

    • Lin, Che-Hung; Wang, Yu-Jen; Lee, Chin-Fa European Journal of Organic Chemistry, 2010 , # 23 p. 4368 - 4371
  • Route3
    • null|null
      693-02-7
    • In-stock
      Phenylboronic acid|CS-W001090
      98-80-6
    • ~98%
    • In-stock
      1-Phenyl-1-hexyne|CS-0152398
      1129-65-3

    References

    • Nie, Xiaopeng; Liu, Suli; Zong, Yan; Sun, Peipei; Bao, Jianchun Journal of Organometallic Chemistry, 2011 , vol. 696, # 8 p. 1570 - 1573

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 : P264-P280-P302+P352-P501

Quality Control

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Computational Chemistry Data

  • TPSA   0
  • LogP   3.2283
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   2

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