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CS-W001157 4
Total: USD 88.00

3-((tert-Butoxycarbonyl)amino)benzoic acid

  • CAS No. 111331-82-9

  • Cat. No. CS-W000821
  • Purity≥97%
  • MDL No.MFCD00235884

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

3-((tert-Butoxycarbonyl)amino)benzoic acid|CS-W000821

Structure of 111331-82-9

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General Information

  • CAS No. 111331-82-9
  • Cat. No. CS-W000821
  • Purity ≥97%
  • MDL No. MFCD00235884
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₅NO₄
  • Molecular Weight 237.25
  • Synonym(s) Boc-3-aminobenzoic acid
  • SMILES O=C(O)C1=CC=CC(NC(OC(C)(C)C)=O)=C1

Synthesis

  • Route1

    References

    • Mu; Coffing; Riese II; Geahlen; Verdier-Pinard; Hamel; Johnson; Cushman Journal of Medicinal Chemistry, 2001 , vol. 44, # 3 p. 441 - 452
  • Route2
    • null|null
      344462-84-6
    • ~86%
    • In-stock
      3-((tert-Butoxycarbonyl)amino)benzoic acid|CS-W000821
      111331-82-9

    References

    • Eli Lilly and Company Patent: US6639107 B1, 2003 ; Location in patent: Page/Page column 37 ;
  • Route3

    References

    • Wilbur, D. Scott; Pathare, Pradip M.; Hamlin, Donald K.; Wan, Feng Patent: US2006/228325 A1, 2006 ; Location in patent: Page/Page column 65 ;

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

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Computational Chemistry Data

  • TPSA   75.63
  • LogP   2.7318
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   2

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