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Ethyl 5-cyclopropylisoxazole-3-carboxylate

  • CAS No. 21080-81-9

  • Cat. No. CS-0042956
  • Molecule weight181.19
  • Purity≥95%
  • MDL No.MFCD11217157

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

Ethyl 5-cyclopropylisoxazole-3-carboxylate|CS-0042956

Structure of 21080-81-9

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General Information

  • CAS No. 21080-81-9
  • Cat. No. CS-0042956
  • Purity ≥95%
  • MDL No. MFCD11217157
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₁NO₃
  • Molecular Weight 181.19
  • Synonym(s) Ethyl 5-cyclopropyl-1,2-oxazole-3-carboxylate
  • SMILES CCOC(=O)C1=NOC(=C1)C1CC1

Synthesis

  • Route1

    References

    • KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN Randamp;;D; reMYND; GRIFFIOEN, Gerard; VAN DOOREN, Tom; ROJAS DE LA PARRA, Veronica; MARCHAND, Arnaud; ALLASIA, Sara; KILONDA, Amuri; CHALTIN, Patrick Patent: WO2010/142801 A1, 2010 ; Location in patent: Page/Page column 151 ; WO 2010/142801 A1
  • Route2

    References

    • Piotrowski, David W.; Rogers, Bruce N.; McWhorter JR., William W.; Walker, Daniel Patrick; Corbett, Jeffrey W.; Groppi JR., Vincent E.; Rudmann, Daniel G. Patent: US2003/236287 A1, 2003 ; Location in patent: Page 46, 47 ; US 20030236287 A1

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

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Computational Chemistry Data

  • TPSA   52.33
  • LogP   1.7287
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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