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Tert-butyl 3-oxo-3-phenylpropanoate

  • CAS No. 54441-66-6

  • Cat. No. CS-0453553
  • Molecule weight220.26
  • Purity≥98%
  • MDL No.None

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

Tert-butyl 3-oxo-3-phenylpropanoate|CS-0453553

Structure of 54441-66-6

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General Information

  • CAS No. 54441-66-6
  • Cat. No. CS-0453553
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₆O₃
  • Molecular Weight 220.26
  • Synonym(s) None
  • SMILES CC(C)(C)OC(=O)CC(=O)C1=CC=CC=C1

Synthesis

  • Route1

    References

    • Galliford, Chris V.; Scheidt, Karl A. Chemical Communications, 2008 , # 16 p. 1926 - 1928
  • Route2

    References

    • Peixoto, Philippe Alexandre; Boulange, Agathe; Leleu, Stephane; Franck, Xavier European Journal of Organic Chemistry, 2013 , # 16 p. 3316 - 3327
  • Route3
    • null|null
      201230-82-2
    • null|null
      532-27-4
    • null|null
      75-65-0
    • ~64%
    • Tert-butyl 3-oxo-3-phenylpropanoate|CS-0453553
      54441-66-6

    References

    • Wahl, Benoit; Bonin, Helene; Mortreux, Andre; Sauthier, Mathieu; Giboulot, Steven; Liron, Frederic; Poli, Giovanni Advanced Synthesis and Catalysis, 2012 , vol. 354, # 16 p. 3105 - 3114,10

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   43.37
  • LogP   2.6011
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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