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2-Isobutyrylisoindoline-1,3-dione

  • CAS No. 6623-99-0

  • Cat. No. CS-0524845
  • Molecule weight217.22
  • Purity≥98%
  • MDL No.None

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

2-Isobutyrylisoindoline-1,3-dione|CS-0524845

Structure of 6623-99-0

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General Information

  • CAS No. 6623-99-0
  • Cat. No. CS-0524845
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₁NO₃
  • Molecular Weight 217.22
  • Synonym(s) 2-(2-Methylpropanoyl)isoindole-1,3-dione
  • SMILES O=C1N(C(C(C)C)=O)C(C2=C1C=CC=C2)=O

Synthesis

  • Route1

    References

    • NEUROCRINE BIOSCIENCES, INC. Patent: WO2005/7633 A1, 2005 ; Location in patent: Page 29 ; WO 2005/007633 A1
  • Route2
    • null|null
      1074-82-4
    • null|null
      79-30-1
    • ~%
    • 2-Isobutyrylisoindoline-1,3-dione|CS-0524845
      6623-99-0

    References

    • Hurd; Dull Journal of the American Chemical Society, 1932 , vol. 54, p. 2432,2439

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301
Precautionary Statements : P264-P270-P330-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   54.45
  • LogP   1.4652
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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