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Ethyl 1,3-dioxo-2,3-dihydro-1H-indene-2-carboxylate

  • CAS No. 3457-77-0

  • Cat. No. CS-0516214
  • Purity≥98%
  • MDL No.None

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

Ethyl 1,3-dioxo-2,3-dihydro-1H-indene-2-carboxylate|CS-0516214

Structure of 3457-77-0

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General Information

  • CAS No. 3457-77-0
  • Cat. No. CS-0516214
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₀O₄
  • Molecular Weight 218.21
  • Synonym(s) 1H-Indene-2-carboxylic acid, 2,3-dihydro-1,3-dioxo-, ethyl ester
  • SMILES O=C(C(C(C1=C2C=CC=C1)=O)C2=O)OCC

Synthesis

  • Route1

    References

    • Teeters; Shriner Journal of the American Chemical Society, 1933 , vol. 55, p. 3026
  • Route2

    References

    • Ryckebusch, Adina; Garcin, Deborah; Lansiaux, Amelie; Goossens, Jean-Francois; Baldeyrou, Brigitte; Houssin, Raymond; Bailly, Christian; Henichart, Jean-Pierre Journal of Medicinal Chemistry, 2008 , vol. 51, # 12 p. 3617 - 3629
  • Route3
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      60-29-7
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      1007476-32-5
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      88-95-9
    • ~%
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      892-42-2
    • Ethyl 1,3-dioxo-2,3-dihydro-1H-indene-2-carboxylate|CS-0516214
      3457-77-0

    References

    • Ruggli; Zickendraht Helvetica Chimica Acta, 1945 , vol. 28, p. 1377,1385

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-H320
Precautionary Statements : P264-P280-P302+P352-P305+P351+P338-P362

Quality Control

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Computational Chemistry Data

  • TPSA   60.44
  • LogP   1.2449
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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