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CS-W001157 4
Total: USD 88.00

1-(4-Methoxyphenyl)-3,3-dimethylbutan-2-one

  • CAS No. 65853-51-2

  • Cat. No. CS-0580449
  • Molecule weight206.28
  • Purity≥98%
  • MDL No.None

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

1-(4-Methoxyphenyl)-3,3-dimethylbutan-2-one|CS-0580449

Structure of 65853-51-2

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General Information

  • CAS No. 65853-51-2
  • Cat. No. CS-0580449
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₈O₂
  • Molecular Weight 206.28
  • Synonym(s) para-anisylpinacolone
  • SMILES CC(C)(C)C(=O)CC1=CC=C(C=C1)OC

Synthesis

  • Route1
    • null|null
      79958-53-5
    • ~%
    • 1-(4-Methoxyphenyl)-3,3-dimethylbutan-2-one|CS-0580449
      65853-51-2
    • 3,3-Dimethyl-4'-methoxybutyrophenone|CS-0852995
      85157-92-2

    References

    • Gaunt; Yu; Spencer Chemical Communications, 2001 , # 18 p. 1844 - 1845
  • Route2

    References

    • Bunnett, Joseph F.; Mitchel, Eric; Galli, Carlo Tetrahedron, 1985 , vol. 41, # 19 p. 4119 - 4132
  • Route3
    • null|null
      75-97-8
    • null|null
      104-92-7
    • ~%
    • 1-(4-Methoxyphenyl)-3,3-dimethylbutan-2-one|CS-0580449
      65853-51-2

    References

    • Galli, Carlo; Gentili, Patrizia Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1993 , # 6 p. 1135 - 1140

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

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.8529
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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