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CS-W001157 4
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tert-Butyl 3-iodo-5-nitro-1H-indazole-1-carboxylate

  • CAS No. 459133-69-8

  • Cat. No. CS-0046947
  • Purity≥97%
  • MDL No.None

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

tert-Butyl 3-iodo-5-nitro-1H-indazole-1-carboxylate|CS-0046947

Structure of 459133-69-8

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General Information

  • CAS No. 459133-69-8
  • Cat. No. CS-0046947
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₂IN₃O₄
  • Molecular Weight 389.15
  • Synonym(s) tert-butyl 3-iodo-5-nitro-indazole-1-carboxylate
  • SMILES [O-][N+](C1=CC=C(C2=C1)N(N=C2I)C(OC(C)(C)C)=O)=O

Synthesis

  • Route1

    References

    • LABORATOIRES SERONO SA Patent: WO2009/19167 A1, 2009 ; Location in patent: Page/Page column 129 ; WO 2009/019167 A1
  • Route2

    References

    • Herdemann, Matthias; Weber, Alexander; Jonveaux, Jerome; Schwoebel, Frank; Stoeck, Michael; Heit, Isabelle Bioorganic and Medicinal Chemistry Letters, 2011 , vol. 21, # 6 p. 1852 - 1856
  • Route3

    References

    • Herdemann, Matthias; Weber, Alexander; Jonveaux, Jerome; Schwoebel, Frank; Stoeck, Michael; Heit, Isabelle Bioorganic and Medicinal Chemistry Letters, 2011 , vol. 21, # 6 p. 1852 - 1856

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   87.26
  • LogP   3.3323
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   1

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