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CS-W001157 4
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Ethyl 4,6-dimethyl-2-oxo-2h-pyran-5-carboxylate

  • CAS No. 3385-34-0

  • Cat. No. CS-0216361
  • Purity≥98%
  • MDL No.None

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

Ethyl 4,6-dimethyl-2-oxo-2h-pyran-5-carboxylate|CS-0216361

Structure of 3385-34-0

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General Information

  • CAS No. 3385-34-0
  • Cat. No. CS-0216361
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂O₄
  • Molecular Weight 196.20
  • Synonym(s) Isodehydracetic acid ethyl ester
  • SMILES CCOC(=O)C1=C(C)OC(=O)C=C1C

Synthesis

  • Route1

    References

    • Martinez, A. Garcia; Fernandez, A. Herrera; Vilchez, D. Molero; Ubeda, A Herrera; Hanack, M.; Subramian, L. R. Anales de Quimica, 1995 , vol. 91, # 1.2 p. 121 - 123
  • Route2

    References

    • Justus Liebigs Annalen der Chemie, , vol. 222, p. 16 Journal of the American Chemical Society, , vol. 73, p. 3531 Justus Liebigs Annalen der Chemie, , vol. 259, p. 173,185 Org. Synth. Coll. Vol., , vol. IV, p. 549 Org. Sinth. Coll. Vol., , vol. IV, p. 549
  • Route3

    References

    • Huang, Xian; Shen, Ruwei Synthesis, 2006 , # 16 p. 2731 - 2737

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

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Computational Chemistry Data

  • TPSA   56.51
  • LogP   1.43334
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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