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CS-W001157 4
Total: USD 88.00

2-((2-(Tert-butyl)phenyl)amino)-2-oxoacetic acid

  • CAS No. 254751-08-1

  • Cat. No. CS-M1503
  • Purity≥98%
  • MDL No.None

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

2-((2-(Tert-butyl)phenyl)amino)-2-oxoacetic acid|CS-M1503

Structure of 254751-08-1

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General Information

  • CAS No. 254751-08-1
  • Cat. No. CS-M1503
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₅NO₃
  • Molecular Weight 221.25
  • Synonym(s) Acetic acid, 2-[[2-(1,1-dimethylethyl)phenyl]amino]-2-oxo-
  • SMILES O=C(O)C(NC1=CC=CC=C1C(C)(C)C)=O

Synthesis

  • Route1
    • Methyl 2-((2-(tert-butyl)phenyl)amino)-2-oxoacetate|CS-M1501
      483334-60-7
    • ~58%
    • In-stock
      2-((2-(Tert-butyl)phenyl)amino)-2-oxoacetic acid|CS-M1503
      254751-08-1

    References

    • Linton, Steven D.; Aja, Teresa; Armstrong, Robert A.; Bai, Xu; Chen, Long-Shiuh; Chen, Ning; Ching, Brett; Contreras, Patricia; Diaz, Jose-Luis; Fisher, Craig D.; Fritz, Lawrence C.; Gladstone, Patricia; Groessl, Todd; Gu, Xin; Herrmann, Julia; Hirakawa, Brad P.; Hoglen, Niel C.; Jahangiri, Kathy G.; Kalish, Vincent J.; Karanewsky, Donald S.; Kodandapani, Lalitha; Krebs, Joseph; McQuiston, Jeff; Meduna, Steven P.; Nalley, Kip; Robinson, Edward D.; Sayers, Robert O.; Sebring, Kristen; Spada, Alfred P.; Ternansky, Robert J.; Tomaselli, Kevin J.; Ullman, Brett R.; Valentino, Karen L.; Weeks, Suzanne; Winn, David; Wu, Joe C.; Yeo, Pauline; Zhang, Cheng-Zhi Journal of Medicinal Chemistry, 2005 , vol. 48, # 22 p. 6779 - 6782
  • Route2

    References

    • Linton, Steven D.; Aja, Teresa; Allegrini, Peter R.; Deckwerth, Thomas L.; Diaz, Jose-Luis; Hengerer, Bastian; Herrmann, Julia; Jahangiri, Kathy G.; Kallen, Joerg; Karanewsky, Donald S.; Meduna, Steven P.; Nalley, Kip; Robinson, Edward D.; Roggo, Silvio; Rovelli, Giorgio; Sauter, Andre; Sayers, Robert O.; Schmitz, Albert; Smidt, Robert; Ternansky, Robert J.; Tomaselli, Kevin J.; Ullman, Brett R.; Wiessner, Christoph; Wu, Joe C. Bioorganic and Medicinal Chemistry Letters, 2004 , vol. 14, # 10 p. 2685 - 2691

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

Quality Control

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Computational Chemistry Data

  • TPSA   66.4
  • LogP   2.0072
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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