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CS-W001157 4
Total: USD 88.00

tert-Butyl 3-(bromomethyl)-1H-indazole-1-carboxylate

  • CAS No. 174180-42-8

  • Cat. No. CS-0048372
  • Purity≥98%
  • MDL No.None

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

tert-Butyl 3-(bromomethyl)-1H-indazole-1-carboxylate|CS-0048372

Structure of 174180-42-8

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General Information

  • CAS No. 174180-42-8
  • Cat. No. CS-0048372
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₅BrN₂O₂
  • Molecular Weight 311.17
  • Synonym(s) 1H-Indazole-1-carboxylic acid, 3-(bromomethyl)-, 1,1-dimethylethylester
  • SMILES CC(C)(C)OC(=O)N1N=C(CBr)C2=CC=CC=C12

Synthesis

  • Route1
    • Tert-butyl 3-methyl-1H-indazole-1-carboxylate|CS-0902094
      174180-72-4
    • ~58%
    • tert-Butyl 3-(bromomethyl)-1H-indazole-1-carboxylate|CS-0048372
      174180-42-8

    References

    • Henke, Brad R.; Aquino, Christopher J.; Birkemo, Larry S.; Croom, Dallas K.; Dougherty Jr., Robert W.; Ervin, Gregory N.; Grizzle, Mary K.; Hirst, Gavin C.; James, Michael K.; Johnson, Michael F.; Queen, Kennedy L.; Sherrill, Ronald G.; Sugg, Elizabeth E.; Suh, Edward M.; Szewczyk, Jerzy W.; Unwalla, Rayomand J.; Yingling, Jeff; Willson, Timothy M. Journal of Medicinal Chemistry, 1997 , vol. 40, # 17 p. 2706 - 2725
  • Route2

    References

    • Henke, Brad R.; Aquino, Christopher J.; Birkemo, Larry S.; Croom, Dallas K.; Dougherty Jr., Robert W.; Ervin, Gregory N.; Grizzle, Mary K.; Hirst, Gavin C.; James, Michael K.; Johnson, Michael F.; Queen, Kennedy L.; Sherrill, Ronald G.; Sugg, Elizabeth E.; Suh, Edward M.; Szewczyk, Jerzy W.; Unwalla, Rayomand J.; Yingling, Jeff; Willson, Timothy M. Journal of Medicinal Chemistry, 1997 , vol. 40, # 17 p. 2706 - 2725
  • Route3

    References

    • Henke, Brad R.; Aquino, Christopher J.; Birkemo, Larry S.; Croom, Dallas K.; Dougherty Jr., Robert W.; Ervin, Gregory N.; Grizzle, Mary K.; Hirst, Gavin C.; James, Michael K.; Johnson, Michael F.; Queen, Kennedy L.; Sherrill, Ronald G.; Sugg, Elizabeth E.; Suh, Edward M.; Szewczyk, Jerzy W.; Unwalla, Rayomand J.; Yingling, Jeff; Willson, Timothy M. Journal of Medicinal Chemistry, 1997 , vol. 40, # 17 p. 2706 - 2725

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H315-H318-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   44.12
  • LogP   3.7144
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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