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Total: USD 88.00

Di-tert-butyloxalate

  • CAS No. 691-64-5

  • Cat. No. CS-0154856
  • Molecule weight202.25
  • Purity≥98%
  • MDL No.MFCD00008806

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

Di-tert-butyloxalate|CS-0154856

Structure of 691-64-5

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General Information

  • CAS No. 691-64-5
  • Cat. No. CS-0154856
  • Purity ≥98%
  • MDL No. MFCD00008806
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₈O₄
  • Molecular Weight 202.25
  • Synonym(s) Oxalic acid di-tert-butyl ester
  • SMILES CC(C)(C)OC(=O)C(=O)OC(C)(C)C

Description

Di-tert-butyloxalate serves as a stable, bench-ready source of the oxalate dianion, featuring two sterically hindered tert-butyl groups that enhance solubility in organic media and resist nucleophilic attack. This robust reagent facilitates selective decarboxylation and C–C bond formation under mild conditions, enabling efficient synthesis of complex carbonyl compounds and derivatives.

Synthesis

  • Route1
    • null|null
      66478-63-5
    • ~99%
    • In-stock
      Di-tert-butyloxalate|CS-0154856
      691-64-5

    References

    • Schank, Kurt; Beck, Horst; Werner, Frank Helvetica Chimica Acta, 2000 , vol. 83, # 7 p. 1611 - 1624
  • Route2
    • null|null
      79-37-8
    • null|null
      75-65-0
    • ~%
    • In-stock
      Di-tert-butyloxalate|CS-0154856
      691-64-5

    References

    • Recueil des Travaux Chimiques des Pays-Bas, , vol. 58, p. 1054
  • Route3

    References

    • Chemistry of Natural Compounds, , vol. 3, p. 159 - 162 Khimiya Prirodnykh Soedinenii, , vol. 3, p. 191 - 197

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
Precautionary Statements : P264-P280-P302+P352-P362

Quality Control

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Computational Chemistry Data

  • TPSA   52.6
  • LogP   1.6698
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   0

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