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CS-W001157 4
Total: USD 88.00

1,3-Dimethyl-1H-pyrazol-5(4H)-one

  • CAS No. 2749-59-9

  • Cat. No. CS-W013658
  • Purity≥98%
  • MDL No.MFCD00067008

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

1,3-Dimethyl-1H-pyrazol-5(4H)-one|CS-W013658

Structure of 2749-59-9

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General Information

  • CAS No. 2749-59-9
  • Cat. No. CS-W013658
  • Purity ≥98%
  • MDL No. MFCD00067008
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₈N₂O
  • Molecular Weight 112.13
  • Synonym(s) 3H-Pyrazol-3-one, 2,4-dihydro-2,5-dimethyl-
  • SMILES CN1C(=O)CC(=N1)C

Synthesis

  • Route1

    References

    • Park, Hyun-Ja; Lee, Kyung; Park, Su-Jin; Ahn, Bangle; Lee, Jong-Cheol; Cho, HeeYeong; Lee, Kee-In Bioorganic and Medicinal Chemistry Letters, 2005 , vol. 15, # 13 p. 3307 - 3312
  • Route2

    References

    • Nam; Grandberg Chemistry of Heterocyclic Compounds, 2006 , vol. 42, # 3 p. 326 - 330
  • Route3
    • (Z)-Ethyl 3-(pyrrolidin-1-yl)but-2-enoate|CS-0151932
      70526-06-6
    • null|null
      60-34-4
    • ~56%
    • 1,3-Dimethyl-1H-pyrazol-5(4H)-one|CS-W013658
      2749-59-9

    References

    • Alberola, A.; Calvo, L. A.; Ortega, A. Gonzalez; Sadaba, M. L.; Sanudo, M. C. Anales de Quimica, 1995 , vol. 91, # 3-4 p. 284 - 289

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   32.67
  • LogP   0.2244
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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