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CS-W001157 4
Total: USD 88.00

3-(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)benzoic acid

  • CAS No. 40101-51-7

  • Cat. No. CS-0219446
  • Purity≥97%
  • MDL No.None

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

3-(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)benzoic acid|CS-0219446

Structure of 40101-51-7

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General Information

  • CAS No. 40101-51-7
  • Cat. No. CS-0219446
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₉NO₄
  • Molecular Weight 267.24
  • Synonym(s) 3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-benzoic acid
  • SMILES C1=CC=C2C(=C1)C(=O)N(C3=CC=CC(=C3)C(=O)O)C2=O

Synthesis

  • Route1
    • null|null
      300667-12-3
    • ~90%
    • 3-(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)benzoic acid|CS-0219446
      40101-51-7

    References

    • Zhou, Ya; Rodriguez, Alice L.; Williams, Richard; Weaver, C. David; Conn, P. Jeffrey; Lindsley, Craig W. Bioorganic and Medicinal Chemistry Letters, 2009 , vol. 19, # 23 p. 6502 - 6506
  • Route2

    References

    • Zav'yalov; Dorofeeva; Rumyantseva; Kulikova; Ezhova; Kravchenko; Zavozin Pharmaceutical Chemistry Journal, 2002 , vol. 36, # 8 p. 440 - 442
  • Route3

    References

    • Chapman, James M.; Voorstad, P. Josee; Cocolas, George H.; Hall, Iris H. Journal of Medicinal Chemistry, 1983 , vol. 26, # 2 p. 237 - 243

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-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   74.68
  • LogP   2.1854
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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