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

  • CAS No. 31272-05-6

  • Cat. No. CS-0119631
  • Molecule weight140.18
  • Purity≥98%
  • MDL No.MFCD09028466

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

5-Isopropyl-2-methyl-2,4-dihydro-3H-pyrazol-3-one|CS-0119631

Structure of 31272-05-6

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General Information

  • CAS No. 31272-05-6
  • Cat. No. CS-0119631
  • Purity ≥98%
  • MDL No. MFCD09028466
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₂N₂O
  • Molecular Weight 140.18
  • Synonym(s) 1-methyl-3-(propan-2-yl)-4,5-dihydro-1H-pyrazol-5-one
  • SMILES O=C1N(C)N=C(C(C)C)C1

Synthesis

  • Route1
    • Methyl 4-methylpent-2-ynoate|CS-0273351
      80866-47-3
    • null|null
      60-34-4
    • ~47%
    • null|null
      143706-72-3
    • 5-Isopropyl-2-methyl-2,4-dihydro-3H-pyrazol-3-one|CS-0119631
      31272-05-6

    References

    • Hamper, Bruce C.; Kurtzweil, Mitchell L.; Beck, James P. Journal of Organic Chemistry, 1992 , vol. 57, # 21 p. 5680 - 5686
  • Route2
    • null|null
      598-23-2
    • ~%
    • 5-Isopropyl-2-methyl-2,4-dihydro-3H-pyrazol-3-one|CS-0119631
      31272-05-6

    References

    • Hamper, Bruce C.; Kurtzweil, Mitchell L.; Beck, James P. Journal of Organic Chemistry, 1992 , vol. 57, # 21 p. 5680 - 5686
  • Route3

    References

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

Safety Information

Download SDS
GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   32.67
  • LogP   0.8605
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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