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CS-W001157 4
Total: USD 88.00

4-((tert-Butoxycarbonyl)amino)-3-methylbenzoic acid

  • CAS No. 180976-94-7

  • Cat. No. CS-0040654
  • Purity≥98%
  • MDL No.MFCD02682225

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

4-((tert-Butoxycarbonyl)amino)-3-methylbenzoic acid|CS-0040654

Structure of 180976-94-7

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General Information

  • CAS No. 180976-94-7
  • Cat. No. CS-0040654
  • Purity ≥98%
  • MDL No. MFCD02682225
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₇NO₄
  • Molecular Weight 251.28
  • Synonym(s) Boc-4-amino-3-methylbenzoic acid
  • SMILES O=C(O)C1=CC=C(NC(OC(C)(C)C)=O)C(C)=C1

Synthesis

  • Route1

    References

    • Qian, Yimin; Marugan, Juan Jose; Fossum, Renae D.; Vogt, Andreas; Sebti, Said M.; Hamilton, Andrew D. Bioorganic and Medicinal Chemistry, 1999 , vol. 7, # 12 p. 3011 - 3024
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    References

    • University of Pittsburgh Patent: US5834434 A1, 1998 ;

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   3.04022
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   2

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