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tert-Butyl 3-amino-3-oxopropanoate

  • CAS No. 42998-54-9

  • Cat. No. CS-0369601
  • Purity≥96%
  • MDL No.None

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

tert-Butyl 3-amino-3-oxopropanoate|CS-0369601

Structure of 42998-54-9

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General Information

  • CAS No. 42998-54-9
  • Cat. No. CS-0369601
  • Purity ≥96%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₃NO₃
  • Molecular Weight 159.18
  • Synonym(s) BOC-acetamide
  • SMILES O=C(CC(N)=O)OC(C)(C)C

Synthesis

  • Route1

    References

    • MERCK and CO., INC. Patent: WO2007/64553 A2, 2007 ; Location in patent: Page/Page column 103 ; WO 2007/064553 A2
  • Route2

    References

    • LUPIN LIMITED Patent: WO2007/122628 A1, 2007 ; Location in patent: Page/Page column 15 ;
  • Route3

    References

    • Wanner; Willard; Koomen; Pandit Tetrahedron, 1987 , vol. 43, # 11 p. 2549 - 2556

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   69.39
  • LogP   0.2035
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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