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CS-W001157 4
Total: USD 88.00

2,2,5-Trimethyl-1,3-dioxane-4,6-dione

  • CAS No. 3709-18-0

  • Cat. No. CS-W016208
  • Purity≥97%
  • MDL No.MFCD00006637

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

2,2,5-Trimethyl-1,3-dioxane-4,6-dione|CS-W016208

Structure of 3709-18-0

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General Information

  • CAS No. 3709-18-0
  • Cat. No. CS-W016208
  • Purity ≥97%
  • MDL No. MFCD00006637
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₀O₄
  • Molecular Weight 158.15
  • Synonym(s) Methyl Meldrums acid
  • SMILES O=C(C1C)OC(C)(C)OC1=O

Description

X-ray irradiated single crystals of 2,2,5-trimethyl-1,3-dioxane-4,6-dione have been investigated by electron spin resonance (ESR), electron nuclear double resonance (ENDOR) and electron-electron double resonance (ELDOR) spectra.2,2,5-Trimethyl-1,3-dioxane-4,6-dione was used for trapping the adduct formed during the reaction between alkyl isocyanides and dialkyl acetylenedicarboxylates.

Synthesis

  • Route1
    • null|null
      152125-90-1
    • ~51%
    • In-stock
      2,2,5-Trimethyl-1,3-dioxane-4,6-dione|CS-W016208
      3709-18-0

    References

    • Zitsane; Gudriniece; Rijkure; Kalejs Chemistry of Heterocyclic Compounds, 2000 , vol. 36, # 1 p. 101 - 102
  • Route2
    • null|null
      5362-80-1
    • ~63%
    • In-stock
      2,2,5-Trimethyl-1,3-dioxane-4,6-dione|CS-W016208
      3709-18-0
    • null|null
      62679-22-5

    References

    • Shevchenko; Khimich; Platz; Nikolaev Tetrahedron Letters, 2005 , vol. 46, # 3 p. 435 - 438
  • Route3

    References

    • Troughton,E.B.; Molter,K.E.; Arnett,E.M. Journal of the American Chemical Society, 1984 , vol. 106, p. 6726

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   52.6
  • LogP   0.4586
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   0

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