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CS-W001157 4
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tert-Butyl 3-(bromomethyl)-1H-pyrazolo[3,4-b]pyridine-1-carboxylate

  • CAS No. 174180-76-8

  • Cat. No. CS-0055236
  • Molecule weight312.16
  • Purity≥97%
  • MDL No.MFCD11616025

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

tert-Butyl 3-(bromomethyl)-1H-pyrazolo[3,4-b]pyridine-1-carboxylate|CS-0055236

Structure of 174180-76-8

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General Information

  • CAS No. 174180-76-8
  • Cat. No. CS-0055236
  • Purity ≥97%
  • MDL No. MFCD11616025
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₄BrN₃O₂
  • Molecular Weight 312.16
  • Synonym(s) None
  • SMILES O=C(N1N=C(CBr)C2=CC=CN=C21)OC(C)(C)C

Synthesis

  • Route1
    • tert-Butyl 3-methyl-1H-pyrazolo[3,4-b]pyridine-1-carboxylate|CS-0053839
      174180-77-9
    • ~55%
    • In-stock
      tert-Butyl 3-(bromomethyl)-1H-pyrazolo[3,4-b]pyridine-1-carboxylate|CS-0055236
      174180-76-8

    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

    • Kim, Junwon; Park, Changmin; So, Wonyoung; Jo, Mina; Ok, Taedong; Kwon, Jeongjin; Jo, Suyeon; Choi, Jihyun; Kim, Hyoung Cheul; Lee, Doohyun; Kim, Youngmi; Ko, Yoonae; Choi, Inhee; Kong, Sunju; Park, Youngsam; Yoon, Jaewan; Ju, Moon Kyeong; Kim, Junghwan; Han, Sung-Jun; Kim, Tae-Hee; Cechetto, Jonathan; Nam, Jiyoun; Sommer, Peter; Liuzzi, Michel; Lee, Jinhwa; No, Zaesung Medicinal Chemistry letters, 2012 , vol. 3, # 8 p. 678 - 682,5 Title/Abstract Full Text Show Details Kim, Junwon; Lee, Doohyun; Park, Changmin; So, Wonyoung; Jo, Mina; Ok, Taedong; Kwon, Jeongjin; Kong, Sunju; Jo, Suyeon; Kim, Youngmi; Choi, Jihyun; Kim, Hyoung Cheul; Ko, Yoonae; Choi, Inhee; Park, Youngsam; Yoon, Jaewan; Ju, Moon Kyeong; Kim, Junghwan; Han, Sung-Jun; Kim, Tae-Hee; Cechetto, Jonathan; Nam, Jiyoun; Sommer, Peter; Liuzzi, Michel; Lee, Jinhwa; No, Zaesung ACS Medicinal Chemistry Letters, 2012 , vol. 3, # 8 p. 678 - 682

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H314
Precautionary Statements : P260-P264-P270-P280-P301+P330+P331-P304+P340-P330-P363-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   57.01
  • LogP   3.1094
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   1

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