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CS-W001157 4
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2-Benzyl-3-oxoisoindoline-4-carboxylic acid

  • CAS No. 77960-29-3

  • Cat. No. CS-0359076
  • Molecule weight267.28
  • Purity≥97%
  • MDL No.None

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

2-Benzyl-3-oxoisoindoline-4-carboxylic acid|CS-0359076

Structure of 77960-29-3

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General Information

  • CAS No. 77960-29-3
  • Cat. No. CS-0359076
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₁₃NO₃
  • Molecular Weight 267.28
  • Synonym(s) 2-Benzyl-3-oxo-2,3-dihydro-1H-isoindole-4-carboxylic acid
  • SMILES C1=CC=C(C=C1)CN2CC3=C(C(=CC=C3)C(=O)O)C2=O

Synthesis

  • Route1
    • 3-Benzyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid|CS-0766042
      1212092-04-0
    • ~76%
    • 2-Benzyl-3-oxoisoindoline-4-carboxylic acid|CS-0359076
      77960-29-3

    References

    • De Cesco, Stephane; Deslandes, Sebastien; Therrien, Eric; Levan, David; Cueto, Mickael; Schmidt, Ralf; Cantin, Louis-David; Mittermaier, Anthony; Juillerat-Jeanneret, Lucienne; Moitessier, Nicolas Journal of Medicinal Chemistry, 2012 , vol. 55, # 14 p. 6306 - 6315
  • Route2
    • null|null
      4393-11-7
    • ~%
    • 2-Benzyl-3-oxoisoindoline-4-carboxylic acid|CS-0359076
      77960-29-3

    References

    • Sarang, Prajakta S.; Yadav, Arun A.; Patil, Prashant S.; Krishna, Urlam Murali; Trivedi, Girish K.; Salunkhe, Manikrao M. Synthesis, 2007 , # 7 p. 1091 - 1095
  • Route3
    • N-Benzyl-1-(furan-2-yl)methanamine|CS-0665460
      4439-53-6
    • ~%
    • 2-Benzyl-3-oxoisoindoline-4-carboxylic acid|CS-0359076
      77960-29-3

    References

    • Sarang, Prajakta S.; Yadav, Arun A.; Patil, Prashant S.; Krishna, Urlam Murali; Trivedi, Girish K.; Salunkhe, Manikrao M. Synthesis, 2007 , # 7 p. 1091 - 1095

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

Quality Control

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Computational Chemistry Data

  • TPSA   57.61
  • LogP   2.5408
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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