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CS-W001157 4
Total: USD 88.00

4-((tert-Butoxycarbonyl)amino)-1-methyl-1H-pyrrole-2-carboxylic acid

  • CAS No. 77716-11-1

  • Cat. No. CS-W012807
  • Purity≥98%
  • MDL No.MFCD02094544

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

4-((tert-Butoxycarbonyl)amino)-1-methyl-1H-pyrrole-2-carboxylic acid|CS-W012807

Structure of 77716-11-1

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General Information

  • CAS No. 77716-11-1
  • Cat. No. CS-W012807
  • Purity ≥98%
  • MDL No. MFCD02094544
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₆N₂O₄
  • Molecular Weight 240.26
  • Synonym(s) 4-tert-butoxycarbonylamino-1-methyl-1H-pyrrole-2 carboxylic
  • SMILES O=C(O)C1=CC(NC(OC(C)(C)C)=O)=CN1C

Synthesis

  • Route1

    References

    • Jaramillo, David; Liu, Qi; Aldrich-Wright, Janice; Tor, Yitzhak Journal of Organic Chemistry, 2004 , vol. 69, # 23 p. 8151 - 8153
  • Route2

    References

    • TOKYO UNIVERSITY OF PHARMACY AND LIFE SCIENCE Patent: WO2007/29364 A1, 2007 ; Location in patent: Page/Page column 18-19 ;
  • Route3

    References

    • Journal of the American Chemical Society, , vol. 118, # 26 p. 6141 - 6146

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   80.56
  • LogP   2.0703
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   2

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