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CS-W001157 4
Total: USD 88.00

4-(2-Carboxyphenyl)piperazine-1-carboxylic acid tert-butyl ester

  • CAS No. 444582-90-5

  • Cat. No. CS-0040709
  • Purity≥95%
  • MDL No.MFCD04115068

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

4-(2-Carboxyphenyl)piperazine-1-carboxylic acid tert-butyl ester|CS-0040709

Structure of 444582-90-5

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General Information

  • CAS No. 444582-90-5
  • Cat. No. CS-0040709
  • Purity ≥95%
  • MDL No. MFCD04115068
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₂₂N₂O₄
  • Molecular Weight 306.36
  • Synonym(s) 2-(4-(Tert-butoxycarbonyl)piperazin-1-yl)benzoic acid
  • SMILES O=C(N1CCN(C2=CC=CC=C2C(O)=O)CC1)OC(C)(C)C

Synthesis

  • Route1

    References

    • BOEHRINGER INGELHEIM INTERNATIONAL GMBH; GINN, John David; MARSHALL, Daniel Richard; PROKOPOWICZ, Anthony S.; SCHYLER, Sabine; SIBLEY, Robert; TURNER, Michael Robert; WU, Di; WU, Frank Patent: WO2010/126851 A1, 2010 ; Location in patent: Page/Page column 77-78 ; WO 2010/126851 A1
  • Route2
    • In-stock
      Di-tert-butyl dicarbonate|CS-0017817
      24424-99-5
    • 1-(2-Carboxyphenyl)piperazine|CS-0207253
      446831-27-2
    • ~80%
    • In-stock
      4-(2-Carboxyphenyl)piperazine-1-carboxylic acid tert-butyl ester|CS-0040709
      444582-90-5

    References

    • BOEHRINGER INGELHEIM INTERNATIONAL GMBH; GINN, John David; MARSHALL, Daniel Richard; PROKOPOWICZ, Anthony S.; SCHYLER, Sabine; SIBLEY, Robert; TURNER, Michael Robert; WU, Di; WU, Frank Patent: WO2010/126851 A1, 2010 ; Location in patent: Page/Page column 77-78 ; WO 2010/126851 A1
  • Route3

    References

    • Richardson, Timothy I.; Ornstein, Paul L.; Briner, Karin; Fisher, Matthew J.; Backer, Ryan T.; Biggers, C. Kelly; Clay, Michael P.; Emmerson, Paul J.; Hertel, Larry W.; Hsiung, Hansen M.; Husain, Saba; Kahl, Steven D.; Lee, Jonathan A.; Lindstrom, Terry D.; Martinelli, Michael J.; Mayer, John P.; Mullaney, Jeffery T.; O'Brien, Thomas P.; Pawlak, Joseph M.; Revell, Kevin D.; Shah, Jikesh; Zgombick, John M.; Herr, R. Jason; Melekhov, Alex; Sampson, Peter B.; King, Chi-Hsin R. Journal of Medicinal Chemistry, 2004 , vol. 47, # 3 p. 744 - 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   70.08
  • LogP   2.4419
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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