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CS-W001157 4
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Ethyl 5-amino-1-tert-butylpyrazole-4-carboxylate

  • CAS No. 112779-14-3

  • Cat. No. CS-0035629
  • Molecule weight211.26
  • Purity≥98%
  • MDL No.None

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

Ethyl 5-amino-1-tert-butylpyrazole-4-carboxylate|CS-0035629

Structure of 112779-14-3

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General Information

  • CAS No. 112779-14-3
  • Cat. No. CS-0035629
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₇N₃O₂
  • Molecular Weight 211.26
  • Synonym(s) ethyl 5-amino-1-tert-butyl-1H-pyrazole-4-carboxylate
  • SMILES CCOC(=O)C1=C(N)N(C(C)(C)C)N=C1

Synthesis

  • Route1

    References

    • Anderson, Kevin William; Fotouhi, Nader; Gillespie, Paul; Goodnow, Robert Alan; Guertin, Kevin Richard; Haynes, Nancy-Ellen; Myers, Michael Paul; Pietranico-Cole, Sherrie Lynn; Qi, Lida; Rossman, Pamela Loreen; Scott, Nathan Robert; Thakkar, Kshitij Chhabilbhai; Tilley, Jefferson Wright; Zhang, Qiang Patent: US2007/225280 A1, 2007 ; Location in patent: Page/Page column 19 ; US 20070225280 A1
  • Route2
    • In-stock
      tert-Butylhydrazine hydrochloride|CS-W004055
      7400-27-3
    • null|null
      72459-84-8
    • ~74%
    • In-stock
      Ethyl 5-amino-1-tert-butylpyrazole-4-carboxylate|CS-0035629
      112779-14-3

    References

    • Beck, James R.; Lynch, Michael P. Journal of Heterocyclic Chemistry, 1987 , vol. 24, p. 693 - 695
  • Route3

    References

    • Li, Jun-Fei; Zhu, You-Quan; Wang, Xin; Yang, Hua-Zheng Journal of Heterocyclic Chemistry, 2007 , vol. 44, # 4 p. 749 - 755

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   70.14
  • LogP   1.397
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   2

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