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CS-W001157 4
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3-{[(tert-butoxy)carbonyl](methyl)amino}benzoic acid

  • CAS No. 168162-30-9

  • Cat. No. CS-0216264
  • Molecule weight251.28
  • Purity≥97%
  • MDL No.None

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

3-{[(tert-butoxy)carbonyl](methyl)amino}benzoic acid|CS-0216264

Structure of 168162-30-9

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General Information

  • CAS No. 168162-30-9
  • Cat. No. CS-0216264
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₇NO₄
  • Molecular Weight 251.28
  • Synonym(s) 3-((tert-Butoxycarbonyl)(methyl)amino)benzoic acid
  • SMILES O=C(O)C1=CC=CC(N(C(OC(C)(C)C)=O)C)=C1

Synthesis

  • Route1

    References

    • Ferring-Research Limited; Yamanouchi Pharmaceutical Co. Ltd. Patent: US5728829 A1, 1998 ;
  • Route2
    • Methyl 3-((tert-butoxycarbonyl)(methyl)amino)benzoate|CS-0719610
      168162-31-0
    • ~%
    • 3-{[(tert-butoxy)carbonyl](methyl)amino}benzoic acid|CS-0216264
      168162-30-9

    References

    • Japan Tobacco Inc. Patent: US2006/35939 A1, 2006 ; Location in patent: Page/Page column 19 ;
  • Route3

    References

    • Semple, Graeme; Ryder, Hamish; Rooker, David P.; Batt, Andrzej R.; Kendrick, David A.; Szelke, Michael; Ohta, Mitsuaki; Satoh, Masato; Nishida, Akito; Akuzawa, Shinobu; Miyata, Keiji Journal of Medicinal Chemistry, 1997 , vol. 40, # 3 p. 331 - 341

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   66.84
  • LogP   2.7561
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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