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CS-W001157 4
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N-(6-Oxo-6,7-dihydro-1H-purin-2-yl)isobutyramide

  • CAS No. 21047-89-2

  • Cat. No. CS-0154970
  • Purity≥97%
  • MDL No.MFCD16038625

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

N-(6-Oxo-6,7-dihydro-1H-purin-2-yl)isobutyramide|CS-0154970

Structure of 21047-89-2

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General Information

  • CAS No. 21047-89-2
  • Cat. No. CS-0154970
  • Purity ≥97%
  • MDL No. MFCD16038625
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₁N₅O₂
  • Molecular Weight 221.22
  • Synonym(s) N-(6,7-Dihydro-6-oxo-1H-purin-2-yl)-2-methylpropanamide
  • SMILES CC(C(NC1=NC2=C(N=CN2)C(O)=N1)=O)C

Description

N-(6-Oxo-6,7-dihydro-1H-purin-2-yl)isobutyramide features a purine core functionalized with a ketone at C6 and a sterically hindered isobutyramide group at N2. This configuration imparts enhanced stability and favorable solubility profiles for use in nucleoside analog synthesis. The molecule integrates readily into heterocyclic frameworks under standard coupling conditions.

Application

N-(6-Oxo-6,7-dihydro-1H-purin-2-yl)isobutyramide serves as a versatile building block for purine derivatives, enabling efficient access to nucleoside analogs and heterocyclic scaffolds. Its isobutyramide group offers enhanced stability and solubility compared to linear amides, facilitating purification and downstream functionalization. The compound participates reliably in standard coupling reactions and acts as a key intermediate in the synthesis of bioactive purine frameworks relevant to medicinal chemistry and chemical biology workflows.

Safety Information

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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   103.79
  • LogP   0.653
  • H_Acceptors   5
  • H_Donors   3
  • Rotatable_Bonds   2

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