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CS-W001157 4
Total: USD 88.00

(E)-4-(4-Hydroxyphenyl)but-3-en-2-one

  • CAS No. 22214-30-8

  • Cat. No. CS-0356795
  • Purity≥98%
  • MDL No.None

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

(E)-4-(4-Hydroxyphenyl)but-3-en-2-one|CS-0356795

Structure of 22214-30-8

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General Information

  • CAS No. 22214-30-8
  • Cat. No. CS-0356795
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀O₂
  • Molecular Weight 162.19
  • Synonym(s) p-Hydroxybenzalacetone
  • SMILES CC(/C=C/C1=CC=C(O)C=C1)=O

Synthesis

  • Route1
    • p-Hydroxybenzaldehyde Bisoprolol Impurity|CS-0229513
      123-08-0
    • null|null
      67-64-1
    • ~10%
    • (E)-4-(4-Hydroxyphenyl)but-3-en-2-one|CS-0356795
      22214-30-8

    References

    • Zumbansen, Kristina; Doehring, Arno; List, Benjamin Advanced Synthesis and Catalysis, 2010 , vol. 352, # 7 p. 1135 - 1136
  • Route2
    • null|null
      78-94-4
    • null|null
      106-48-9
    • ~74%
    • (E)-4-(4-Hydroxyphenyl)but-3-en-2-one|CS-0356795
      22214-30-8

    References

    • Heshmatpour, Felora; Abazari, Reza; Balalaie, Saeed Tetrahedron, 2012 , vol. 68, # 14 p. 3001 - 3011
  • Route3
    • p-Hydroxybenzaldehyde Bisoprolol Impurity|CS-0229513
      123-08-0
    • null|null
      29942-64-1
    • ~88%
    • (E)-4-(4-Hydroxyphenyl)but-3-en-2-one|CS-0356795
      22214-30-8

    References

    • Pizzirani, Daniela; Roberti, Marinella; Grimaudo, Stefania; Di Cristina, Antonietta; Pipitone, Rosaria Maria; Tolomeo, Manlio; Recanatini, Maurizio Journal of Medicinal Chemistry, 2009 , vol. 52, # 21 p. 6936 - 6940

Safety Information

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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   37.3
  • LogP   1.9944
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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