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CS-W001157 4
Total: USD 88.00

4-(4-Methoxyphenyl)but-3-yn-2-one

  • CAS No. 81532-80-1

  • Cat. No. CS-0530293
  • Purity≥98%
  • MDL No.None

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

4-(4-Methoxyphenyl)but-3-yn-2-one|CS-0530293

Structure of 81532-80-1

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General Information

  • CAS No. 81532-80-1
  • Cat. No. CS-0530293
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₀O₂
  • Molecular Weight 174.20
  • Synonym(s) 4-(4-methoxyphenyl)but--3-yn-2-one
  • SMILES CC(C#CC1=CC=C(OC)C=C1)=O

Synthesis

  • Route1
    • null|null
      108-24-7
    • ~23%
    • 4-(4-Methoxyphenyl)but-3-yn-2-one|CS-0530293
      81532-80-1

    References

    • SMITHKLINE BEECHAM CORPORATION Patent: WO2004/35588 A1, 2004 ; Location in patent: Page 78-79 ; WO 2004/035588 A1
  • Route2

    References

    • Schubert, Thomas; Hummel, Werner; Kula, Maria-Regina; Mueller, Michael European Journal of Organic Chemistry, 2001 , # 22 p. 4181 - 4187
  • Route3
    • null|null
      111887-18-4
    • ~71%
    • 4-(4-Methoxyphenyl)but-3-yn-2-one|CS-0530293
      81532-80-1

    References

    • Liu, Jinxian; Xie, Xi; Ma, Shengming Synthesis, 2012 , vol. 44, # 10 p. 1569 - 1576

Safety Information

Download SDS
GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   1.6357
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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