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CS-W001157 4
Total: USD 88.00

2-(1-Oxoisoindolin-2-yl)acetic acid

  • CAS No. 39221-42-6

  • Cat. No. CS-0054203
  • Purity≥95%
  • MDL No.None

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

2-(1-Oxoisoindolin-2-yl)acetic acid|CS-0054203

Structure of 39221-42-6

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General Information

  • CAS No. 39221-42-6
  • Cat. No. CS-0054203
  • Purity ≥95%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉NO₃
  • Molecular Weight 191.18
  • Synonym(s) (1-OXO-1,3-DIHYDRO-ISOINDOL-2-YL)-ACETIC ACID
  • SMILES OC(=O)CN1CC2=CC=CC=C2C1=O

Synthesis

  • Route1

    References

    • Krysko, Andrei A.; Samoylenko, Georgiy V.; Polishchuk, Pavel G.; Fonari, Marina S.; Kravtsov, Victor Ch.; Andronati, Sergei A.; Kabanova, Tatyana A.; Lipkowski, Janusz; Khristova, Tetiana M.; Kuz'Min, Victor E.; Kabanov, Vladimir M.; Krysko, Olga L.; Varnek, Alexandre A. Bioorganic and Medicinal Chemistry, 2013 , vol. 21, # 15 p. 4646 - 4661
  • Route2
    • Methyl 2-(1-oxo-2,3-dihydro-1h-isoindol-2-yl)acetate|CS-0258509
      96017-03-7
    • ~%
    • 2-(1-Oxoisoindolin-2-yl)acetic acid|CS-0054203
      39221-42-6

    References

    • Taylor, Stephen R.; Roberts, Maxine P.; Wyatt, Naomi A.; Pham, Tien Q.; Stark, Daniela; Bourdier, Thomas; Roselt, Peter; Katsifis, Andrew; Greguric, Ivan Australian Journal of Chemistry, 2013 , vol. 66, # 4 p. 491 - 499
  • Route3

    References

    • Grigg, Ronald; Gunaratne, H. Q. Nimal; Sridharan, Visuvanathar Journal of the Chemical Society, Chemical Communications, 1985 , # 17 p. 1183 - 1184

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   57.61
  • LogP   0.727
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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