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CS-W001157 4
Total: USD 88.00

Ethyl 3-isopropyl-1H-pyrazole-5-carboxylate

  • CAS No. 78208-72-7

  • Cat. No. CS-0043025
  • Purity≥98%
  • MDL No.None

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

Ethyl 3-isopropyl-1H-pyrazole-5-carboxylate|CS-0043025

Structure of 78208-72-7

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General Information

  • CAS No. 78208-72-7
  • Cat. No. CS-0043025
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₄N₂O₂
  • Molecular Weight 182.22
  • Synonym(s) 1H-Pyrazole-5-carboxylic acid, 3-(1-methylethyl)-, ethyl ester
  • SMILES O=C(C1=CC(C(C)C)=NN1)OCC

Synthesis

  • Route1

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 17, # 20 p. 5620 - 5623
  • Route2
    • null|null
      72807-38-6
    • null|null
      95-92-1
    • ~72%
    • In-stock
      Ethyl 3-isopropyl-1H-pyrazole-5-carboxylate|CS-0043025
      78208-72-7

    References

    • Dang, Tung T.; Dang, Tuan T.; Fischer, Christine; Goerls, Helmar; Langer, Peter Tetrahedron, 2008 , vol. 64, # 9 p. 2207 - 2215
  • Route3
    • null|null
      64-17-5
    • In-stock
      5-Isopropyl-1H-pyrazole-3-carboxylic acid|CS-W006370
      92933-47-6
    • ~42%
    • In-stock
      Ethyl 3-isopropyl-1H-pyrazole-5-carboxylate|CS-0043025
      78208-72-7

    References

    • PFIZER LIMITED; PFIZER INC. Patent: WO2005/9965 A1, 2005 ; Location in patent: Page/Page column 44-45 ; WO 2005/009965 A1

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   1.7098
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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