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5-Amino-1-(tert-butyl)-1H-pyrrole-3-carbonitrile

  • CAS No. 269726-49-0

  • Cat. No. CS-M0874
  • Molecule weight163.22
  • Purity≥98%
  • MDL No.MFCD11846194

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

5-Amino-1-(tert-butyl)-1H-pyrrole-3-carbonitrile|CS-M0874

Structure of 269726-49-0

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General Information

  • CAS No. 269726-49-0
  • Cat. No. CS-M0874
  • Purity ≥98%
  • MDL No. MFCD11846194
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₃N₃
  • Molecular Weight 163.22
  • Synonym(s) 5-amino-1-tert-butylpyrrole-3-carbonitrile
  • SMILES N#CC1=CN(C(C)(C)C)C(N)=C1

Description

5-Amino-1-(tert-butyl)-1H-pyrrole-3-carbonitrile features a sterically shielded tert-butyl group that enhances stability and solubility in organic media. The electron-rich pyrrole core, combined with complementary amino and nitrile functionalities, enables direct incorporation into complex heterocycles and facilitates downstream functionalization under mild conditions.

Application

5-Amino-1-(tert-butyl)-1H-pyrrole-3-carbonitrile serves as a versatile heterocyclic building block for medicinal chemistry and materials science applications. The tert-butyl group provides steric protection and enhanced bench stability, while the amino and nitrile functionalities enable diverse downstream transformations—such as amidation, cyclization, and metal-catalyzed coupling—facilitating rapid access to functionalized pyrrole scaffolds with high regiocontrol.

Synthesis

  • Route1
    • null|null
      269726-48-9
    • ~97%
    • In-stock
      5-Amino-1-(tert-butyl)-1H-pyrrole-3-carbonitrile|CS-M0874
      269726-49-0

    References

    • WO2012/78802 A1, ; Page/Page column 35 ;
  • Route2

    References

    • WO2012/78802 A1, ;

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

Quality Control

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Computational Chemistry Data

  • TPSA   54.74
  • LogP   1.69698
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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