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CS-W001157 4
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N-(1-Oxo-2,3-dihydro-1H-inden-5-yl)acetamide

  • CAS No. 58161-35-6

  • Cat. No. CS-0059226
  • Purity≥97%
  • MDL No.None

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

N-(1-Oxo-2,3-dihydro-1H-inden-5-yl)acetamide|CS-0059226

Structure of 58161-35-6

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General Information

  • CAS No. 58161-35-6
  • Cat. No. CS-0059226
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₁NO₂
  • Molecular Weight 189.21
  • Synonym(s) 5-(Acetylamino)-1-indanone
  • SMILES CC(NC1=CC2=C(C(CC2)=O)C=C1)=O

Description

N-(1-Oxo-2,3-dihydro-1H-inden-5-yl)acetamide features a rigid, electron-deficient indenone core paired with a pendant acetamide group, enabling direct integration into conjugated systems. This structure supports efficient coupling in synthetic sequences requiring stable, planar scaffolds with tunable reactivity.

Application

N-(1-Oxo-2,3-dihydro-1H-inden-5-yl)acetamide serves as a versatile scaffold in medicinal chemistry, enabling efficient access to indenone-based heterocycles. Its amide functionality offers moderate stability and facilitates downstream functionalization via standard coupling or reduction protocols. The rigid, planar indenone core provides favorable π-stacking interactions, making it a valuable building block for target-oriented synthesis and structural diversification in drug discovery campaigns.

Synthesis

  • Route1
    • N-(2,3-dihydro-1H-inden-5-yl)acetamide|CS-0314667
      59856-06-3
    • ~50%
    • In-stock
      N-(1-Oxo-2,3-dihydro-1H-inden-5-yl)acetamide|CS-0059226
      58161-35-6

    References

    • Yilmaz, Makbule; Tutar, Ahmet; Erenler, Ramazan Journal of Chemical Research, 2013 , vol. 37, # 4 p. 232 - 235
  • Route2
    • 3-(3-Acetamidophenyl)propanoic acid|CS-0277312
      4080-83-5
    • ~62%
    • N-(3-Oxo-2,3-dihydro-1H-inden-4-yl)acetamide|CS-0239162
      58161-36-7
    • In-stock
      N-(1-Oxo-2,3-dihydro-1H-inden-5-yl)acetamide|CS-0059226
      58161-35-6

    References

    • Farmaco, Edizione Scientifica, , vol. 43, # 2 p. 169 - 179
  • Route3

    References

    • WO2013/62892 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   46.17
  • LogP   1.7739
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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