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Ethyl 3-ethoxy-3-iminopropanoate

  • CAS No. 27317-59-5

  • Cat. No. CS-0450415
  • Molecule weight159.18
  • Purity≥98%
  • MDL No.None

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

Ethyl 3-ethoxy-3-iminopropanoate|CS-0450415

Structure of 27317-59-5

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General Information

  • CAS No. 27317-59-5
  • Cat. No. CS-0450415
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₃NO₃
  • Molecular Weight 159.18
  • Synonym(s) Propanoic acid, 3-ethoxy-3-imino-, ethyl ester
  • SMILES CCO/C(=N\[H])/CC(=O)OCC

Synthesis

  • Route1
    • null|null
      64-17-5
    • null|null
      105-56-6
    • ~94%
    • Ethyl 3-ethoxy-3-iminopropanoate|CS-0450415
      27317-59-5

    References

    • Shenyang J and Health Pharmaceutical Co., Ltd. Patent: EP2468730 A1, 2012 ; Location in patent: Page/Page column 17 ;
  • Route2

    References

    • CURIS, INC. Patent: WO2008/33747 A2, 2008 ; Location in patent: Page/Page column 254-255 ;
  • Route3
    • null|null
      105-56-6
    • ~89%
    • Ethyl 3-ethoxy-3-iminopropanoate|CS-0450415
      27317-59-5

    References

    • Church, Timothy J.; Cutshall, Neil Scott; Gangloff, Anthony R.; Jenkins, Thomas E.; Linsell, Martin S.; Litvak, Joane; Rice, Kenneth D.; Spencer, Jeffrey R.; Wang, Vivian R. Patent: US2001/53779 A1, 2001 ;

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   59.38
  • LogP   0.95337
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   4

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