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CS-W001157 4
Total: USD 88.00

Ethyl 3,5-dimethylpyrazole-4-carboxylate

  • CAS No. 35691-93-1

  • Cat. No. CS-0130334
  • Purity≥97%
  • MDL No.None

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

Ethyl 3,5-dimethylpyrazole-4-carboxylate|CS-0130334

Structure of 35691-93-1

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General Information

  • CAS No. 35691-93-1
  • Cat. No. CS-0130334
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₂N₂O₂
  • Molecular Weight 168.19
  • Synonym(s) Ethyl 3,5-dimethyl-1H-pyrazole-4-carboxylate
  • SMILES O=C(OCC)C1=C(NN=C1C)C

Synthesis

  • Route1

    References

    • H. LUNDBECK A/S; ESKILDSEN, Jørgen Patent: WO2014/49133 A1, 2014 ; Location in patent: Page/Page column 44 ;
  • Route2
    • Ethyl (Z)-2-acetyl-3-hydroxybut-2-enoate|CS-0448909
      1830-94-0
    • ~93%
    • In-stock
      Ethyl 3,5-dimethylpyrazole-4-carboxylate|CS-0130334
      35691-93-1

    References

    • Jung, Jae-Chul; Watkins, E.Blake; Avery, Mitchell A Tetrahedron, 2002 , vol. 58, # 18 p. 3639 - 3646
  • Route3
    • null|null
      99181-91-6
    • ~92%
    • In-stock
      Ethyl 3,5-dimethylpyrazole-4-carboxylate|CS-0130334
      35691-93-1

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

Quality Control

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Computational Chemistry Data

  • TPSA   54.98
  • LogP   1.20324
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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