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CS-W001157 4
Total: USD 88.00

Tert-butyl 3-oxopentanoate

  • CAS No. 33400-61-2

  • Cat. No. CS-0516515
  • Purity≥98%
  • MDL No.MFCD11974528

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

Tert-butyl 3-oxopentanoate|CS-0516515

Structure of 33400-61-2

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General Information

  • CAS No. 33400-61-2
  • Cat. No. CS-0516515
  • Purity ≥98%
  • MDL No. MFCD11974528
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₆O₃
  • Molecular Weight 172.22
  • Synonym(s) Pentanoic acid, 3-oxo-, 1,1-dimethylethyl ester
  • SMILES CCC(=O)CC(=O)OC(C)(C)C

Synthesis

  • Route1
    • null|null
      540-88-5
    • null|null
      105-37-3
    • ~46%
    • Tert-butyl 3-oxopentanoate|CS-0516515
      33400-61-2

    References

    • Luedeke, Steffen; Richter, Michael; Mueller, Michael Advanced Synthesis and Catalysis, 2009 , vol. 351, # 1-2 p. 253 - 259
  • Route2
    • null|null
      66696-76-2
    • null|null
      75-65-0
    • ~%
    • Tert-butyl 3-oxopentanoate|CS-0516515
      33400-61-2

    References

    • Zawacki, Frank J.; Crimmins, Michael T. Tetrahedron Letters, 1996 , vol. 37, # 36 p. 6499 - 6502
  • Route3
    • null|null
      127983-32-8
    • ~76%
    • Tert-butyl 3-oxopentanoate|CS-0516515
      33400-61-2

    References

    • Sicherer-Roetman; Jansen; De Groot Recueil des Travaux Chimiques des Pays Bas, 1985 , vol. 104, # 7-8 p. 193 - 202

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   1.6973
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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