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CS-W001157 4
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Ethyl 5-methyl-3-phenyl-1H-pyrazole-4-carboxylate

  • CAS No. 76923-16-5

  • Cat. No. CS-0326423
  • Molecule weight230.26
  • Purity95+%
  • MDL No.None

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

Ethyl 5-methyl-3-phenyl-1H-pyrazole-4-carboxylate|CS-0326423

Structure of 76923-16-5

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General Information

  • CAS No. 76923-16-5
  • Cat. No. CS-0326423
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₄N₂O₂
  • Molecular Weight 230.26
  • Synonym(s) Ethyl 3-methyl-5-phenyl-1h-pyrazole-4-carboxylate
  • SMILES CCOC(=O)C1=C(C)NN=C1C2=CC=CC=C2

Synthesis

  • Route1

    References

    • Shen, Quansheng; Huang, Wen; Wang, Jialiang; Zhou, Xigeng Organic Letters, 2007 , vol. 9, # 22 p. 4491 - 4494
  • Route2
    • ethyl-2-benzoyl-3-(methylamino)but-2-enoate|CS-0672515
      82140-46-3
    • ~87%
    • Ethyl 5-methyl-3-phenyl-1H-pyrazole-4-carboxylate|CS-0326423
      76923-16-5

    References

    • Plath, Peter; Rohr, Wolfgang Synthesis, 1982 , # 4 p. 318 - 320
  • Route3
    • null|null
      60868-42-0
    • ~93%
    • Ethyl 5-methyl-3-phenyl-1H-pyrazole-4-carboxylate|CS-0326423
      76923-16-5

    References

    • Emelina, E. E.; Ermakov, N. V.; Ershov, B. A.; Zelenin, A. K. Russian Journal of Organic Chemistry, 1994 , vol. 30, # 10 p. 1637 - 1639 Zhurnal Organicheskoi Khimii, 1994 , vol. 30, # 10 p. 1554 - 1555

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

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Computational Chemistry Data

  • TPSA   54.98
  • LogP   2.56182
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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