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CS-W001157 4
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3-tert-Butyl-1-phenyl-2-pyrazolin-5-one

  • CAS No. 6631-89-6

  • Cat. No. CS-0207319
  • Molecule weight216.28
  • Purity≥98%
  • MDL No.MFCD00051762

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

3-tert-Butyl-1-phenyl-2-pyrazolin-5-one|CS-0207319

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General Information

  • CAS No. 6631-89-6
  • Cat. No. CS-0207319
  • Purity ≥98%
  • MDL No. MFCD00051762
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₆N₂O
  • Molecular Weight 216.28
  • Synonym(s) 5-tert-butyl-2-phenyl-4H-pyrazol-3-one
  • SMILES CC(C)(C)C1=NN(C2=CC=CC=C2)C(=O)C1

Synthesis

  • Route1

    References

    • Desroses, Matthieu; Jacques-Cordonnier, Marie-Caroline; Llona-Minguez, Sabin; Jacques, Sylvain; Koolmeister, Tobias; Helleday, Thomas; Scobie, Martin European Journal of Organic Chemistry, 2013 , # 26 p. 5879 - 5885
  • Route2

    References

    • Xu, Xiu-Hua; Wang, Xin; Liu, Guo-Kai; Tokunaga, Etsuko; Shibata, Norio Organic Letters, 2012 , vol. 14, # 10 p. 2544 - 2547
  • Route3

    References

    • Freidmann; Hansel Archiv der Pharmazie, 1983 , vol. 316, # 8 p. 726 - 727

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   32.67
  • LogP   2.8254
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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