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Ethyl 1,3-dihydro-1,3-dioxo-2H-isoindole-2-propanoate

  • CAS No. 4561-06-2

  • Cat. No. CS-0206773
  • Molecule weight247.25
  • Purity≥98%
  • MDL No.MFCD00089144

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

Ethyl 1,3-dihydro-1,3-dioxo-2H-isoindole-2-propanoate|CS-0206773

Structure of 4561-06-2

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General Information

  • CAS No. 4561-06-2
  • Cat. No. CS-0206773
  • Purity ≥98%
  • MDL No. MFCD00089144
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₃NO₄
  • Molecular Weight 247.25
  • Synonym(s) Ethyl 3-(1,3-dioxoisoindolin-2-yl)propanoate
  • SMILES CCOC(=O)CCN1C(=O)C2=CC=CC=C2C1=O

Synthesis

  • Route1
    • null|null
      136918-14-4
    • null|null
      140-88-5
    • ~37%
    • Ethyl 1,3-dihydro-1,3-dioxo-2H-isoindole-2-propanoate|CS-0206773
      4561-06-2

    References

    • Yang, Lei; Xu, Li-Wen; Xia, Chun-Gu Tetrahedron Letters, 2005 , vol. 46, # 19 p. 3279 - 3282
  • Route2

    References

    • Fusier Annales de Chimie (Cachan, France), 1950 , vol. <12>5, p. 882,886
  • Route3
    • null|null
      85-44-9
    • Diethyl 3,3'-azanediyldipropanoate|CS-0187356
      3518-88-5
    • ~%
    • Ethyl 1,3-dihydro-1,3-dioxo-2H-isoindole-2-propanoate|CS-0206773
      4561-06-2

    References

    • Chodroff; Kapp; Beckmann Journal of the American Chemical Society, 1947 , vol. 69, p. 256

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   63.68
  • LogP   1.2358
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   4

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