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5-Isopropyl-2,4-dihydro-3H-pyrazol-3-one

  • CAS No. 29211-67-4

  • Cat. No. CS-0047055
  • Purity≥97%
  • MDL No.None

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

5-Isopropyl-2,4-dihydro-3H-pyrazol-3-one|CS-0047055

Structure of 29211-67-4

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General Information

  • CAS No. 29211-67-4
  • Cat. No. CS-0047055
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₁₀N₂O
  • Molecular Weight 126.16
  • Synonym(s) 3-isopropyl-1H-pyrazol-5(4H)-one
  • SMILES O=C1NN=C(C1)C(C)C

Synthesis

  • Route1

    References

    • Arnost, Michael; Pierce, Al; Haar, Ernst ter; Lauffer, David; Madden, Jaren; Tanner, Kirk; Green, Jeremy Bioorganic and Medicinal Chemistry Letters, 2010 , vol. 20, # 5 p. 1661 - 1664
  • Route2
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      141665-39-6
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      7727-37-9
    • ~%
    • In-stock
      5-Isopropyl-2,4-dihydro-3H-pyrazol-3-one|CS-0047055
      29211-67-4

    References

    • BASF AG Patent: JP2005/527517 A, 2005 ; Location in patent: Page/Page column 19 ;

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

Quality Control

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Computational Chemistry Data

  • TPSA   41.46
  • LogP   0.5183
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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