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CS-W001157 4
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(S)-2-((tert-Butoxycarbonyl)amino)-3-(1H-pyrazol-1-yl)propanoicacid

  • CAS No. 21012-18-0

  • Cat. No. CS-0171853
  • Molecule weight255.27
  • Purity≥97%
  • MDL No.None

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

(S)-2-((tert-Butoxycarbonyl)amino)-3-(1H-pyrazol-1-yl)propanoicacid|CS-0171853

Structure of 21012-18-0

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General Information

  • CAS No. 21012-18-0
  • Cat. No. CS-0171853
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₇N₃O₄
  • Molecular Weight 255.27
  • Synonym(s) BOC-3-(1-PYRAZOLYL)-L-ALANINE L-N-BOC-3-PYRAZOL-1-YL-ALANINE
  • SMILES CC(C)(OC(N[C@H](C(O)=O)CN1C=CC=N1)=O)C

Synthesis

  • Route1

    References

    • Marsault, Eric; Fraser, Graeme L.; Benakli, Kamel; St-Louis, Carl; Rouillard, Alain; Thomas, Helmut Patent: US2010/93720 A1, 2010 ; Location in patent: Page/Page column 38 ; US 20100093720 A1
  • Route2

    References

    • WO2012/171900 A1, ; Page/Page column 127 ; WO 2012/171900 A1
  • Route3

    References

    • US2014/112945 A1, ; Page/Page column ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   93.45
  • LogP   0.861
  • H_Acceptors   5
  • H_Donors   2
  • Rotatable_Bonds   4

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