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Ethyl 5-(N-Boc)aminomethylisoxazole-3-carboxylate

  • CAS No. 253196-37-1

  • Cat. No. CS-0206157
  • Purity≥98%
  • MDL No.MFCD08274848

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

Ethyl 5-(N-Boc)aminomethylisoxazole-3-carboxylate|CS-0206157

Structure of 253196-37-1

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General Information

  • CAS No. 253196-37-1
  • Cat. No. CS-0206157
  • Purity ≥98%
  • MDL No. MFCD08274848
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₈N₂O₅
  • Molecular Weight 270.28
  • Synonym(s) ethyl 5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,2-oxazole-3-carboxylate
  • SMILES CCOC(C1=NOC(CNC(OC(C)(C)C)=O)=C1)=O

Synthesis

  • Route1

    References

    • ASTRAZENECA AB Patent: US2008/4302 A1, 2008 ; Location in patent: Page/Page column 73; 75 ; US 20080004302 A1
  • Route2
    • null|null
      95080-93-6
    • In-stock
      Boc-Propargylamine|CS-M0556
      92136-39-5
    • ~16%
    • In-stock
      Ethyl 5-(N-Boc)aminomethylisoxazole-3-carboxylate|CS-0206157
      253196-37-1

    References

    • Moloney, Gerard P.; Martin, Graeme R.; Mathews, Neil; Hobbs, Heather; Dodsworth, Susan; Sang, Pang Yih; Knight, Cameron; Maxwell, Miles; Glen, Robert C. Journal of the Chemical Society - Perkin Transactions 1, 1999 , # 19 p. 2713 - 2723
  • Route3

    References

    • Journal of the Chemical Society - Perkin Transactions 1, , # 19 p. 2713 - 2723

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-H312-H315-H319-H332-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   90.66
  • LogP   1.876
  • H_Acceptors   6
  • H_Donors   1
  • Rotatable_Bonds   4

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