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CS-W001157 4
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Ethyl 5-imino-2-methyl-2,5-dihydro-1h-pyrazole-3-carboxylate

  • CAS No. 89088-57-3

  • Cat. No. CS-0298922
  • Molecule weight169.18
  • Purity≥98%
  • MDL No.None

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

Ethyl 5-imino-2-methyl-2,5-dihydro-1h-pyrazole-3-carboxylate|CS-0298922

Structure of 89088-57-3

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General Information

  • CAS No. 89088-57-3
  • Cat. No. CS-0298922
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₁N₃O₂
  • Molecular Weight 169.18
  • Synonym(s) ethyl 3-amino-1-methyl-1H-pyrazole-5-carboxylate
  • SMILES CCOC(=O)C1=CC(=N)NN1C

Synthesis

  • Route1
    • null|null
      89088-53-9
    • ~92%
    • Ethyl 5-imino-2-methyl-2,5-dihydro-1h-pyrazole-3-carboxylate|CS-0298922
      89088-57-3

    References

    • Chenard, B. L. Journal of Organic Chemistry, 1984 , vol. 49, # 7 p. 1224 - 1227
  • Route2
    • null|null
      128883-79-4
    • ~0%
    • Benzyl 3-amino-1-methyl-1H-pyrazole-5-carboxylate|CS-0940704
      128883-80-7
    • Ethyl 5-imino-2-methyl-2,5-dihydro-1h-pyrazole-3-carboxylate|CS-0298922
      89088-57-3

    References

    • Ding, Lu; Grehn, Leif; Ragnarsson, Ulf Acta Chemica Scandinavica, 1990 , vol. 44, # 1 p. 75 - 81

Safety Information

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

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Computational Chemistry Data

  • TPSA   70.87
  • LogP   0.00937
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   2

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