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CS-W001157 4
Total: USD 88.00

2-Nitro-benzoic acid tert-butyl ester

  • CAS No. 55666-41-6

  • Cat. No. CS-0208740
  • Molecule weight223.23
  • Purity≥96%
  • MDL No.MFCD06291302

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

2-Nitro-benzoic acid tert-butyl ester|CS-0208740

Structure of 55666-41-6

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General Information

  • CAS No. 55666-41-6
  • Cat. No. CS-0208740
  • Purity ≥96%
  • MDL No. MFCD06291302
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₃NO₄
  • Molecular Weight 223.23
  • Synonym(s) Tert-butyl 2-nitrobenzoate
  • SMILES CC(C)(C)OC(=O)C1=CC=CC=C1[N+](=O)[O-]

Synthesis

  • Route1

    References

    • Drewe, William C.; Nanjunda, Rupesh; Gunaratnam, Mekala; Beltran, Monica; Parkinson, Gary N.; Reszka, Anthony P.; Wilson, W. David; Neidle, Stephen Journal of Medicinal Chemistry, 2008 , vol. 51, # 24 p. 7751 - 7767
  • Route2
    • null|null
      610-14-0
    • ~91%
    • 2-Nitro-benzoic acid tert-butyl ester|CS-0208740
      55666-41-6

    References

    • PHARMACIA and UPJOHN COMPANY Patent: WO2004/18428 A1, 2004 ; Location in patent: Page 366-367 ;
  • Route3
    • null|null
      201230-82-2
    • null|null
      577-19-5
    • null|null
      75-65-0
    • ~38%
    • 2-Nitro-benzoic acid tert-butyl ester|CS-0208740
      55666-41-6

    References

    • McNulty, James; Nair, Jerald J.; Sliwinski, Marcin; Robertson, Al J. Tetrahedron Letters, 2009 , vol. 50, # 20 p. 2342 - 2346

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   69.44
  • LogP   2.5501
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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