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CS-W001157 4
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Methyl 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate

  • CAS No. 19077-61-3

  • Cat. No. CS-0449410
  • Purity≥98%
  • MDL No.None

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

Methyl 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate|CS-0449410

Structure of 19077-61-3

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General Information

  • CAS No. 19077-61-3
  • Cat. No. CS-0449410
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₉NO₄
  • Molecular Weight 231.20
  • Synonym(s) 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid
  • SMILES COC(=O)C1=CC=CC=C1N2C(=O)C=CC2=O

Synthesis

  • Route1
    • null|null
      108-31-6
    • null|null
      134-20-3
    • ~%
    • Methyl 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate|CS-0449410
      19077-61-3

    References

    • Chen, Hai-Jun; Liu, Yong; Wang, Li-Na; Shen, Qiang; Li, Jia; Nan, Fa-Jun Bioorganic and Medicinal Chemistry Letters, 2010 , vol. 20, # 9 p. 2876 - 2879
  • Route2
    • null|null
      134-20-3
    • ~%
    • Methyl 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate|CS-0449410
      19077-61-3

    References

    • Balasubramaniyan, V.; Argade, N. P. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1987 , vol. 26, # 1-12 p. 476 - 477

Safety Information

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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   63.68
  • LogP   0.9026
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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