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Diethyl 2-oxo-1H-benzo[d]imidazole-1,3(2H)-dicarboxylate

  • CAS No. 161468-57-1

  • Cat. No. CS-0336970
  • Purity95+%
  • MDL No.None

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

Diethyl 2-oxo-1H-benzo[d]imidazole-1,3(2H)-dicarboxylate|CS-0336970

Structure of 161468-57-1

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General Information

  • CAS No. 161468-57-1
  • Cat. No. CS-0336970
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₄N₂O₅
  • Molecular Weight 278.26
  • Synonym(s) diethyl 2-oxo-1H-1,3-benzimidazole-1,3(2H)-dicarboxylate
  • SMILES CCOC(=O)N1C2=CC=CC=C2N(C1=O)C(=O)OCC

Synthesis

  • Route1

    References

    • ABBOTT GMBH and CO. KG Patent: WO2008/25736 A1, 2008 ; Location in patent: Page/Page column 60 ; WO 2008/025736 A1
  • Route2

    References

    • Meanwell; Sit; Gao; Wong; St. Laurent; Balasubramanian Journal of Organic Chemistry, 1995 , vol. 60, # 6 p. 1565 - 1582
  • Route3

    References

    • Venkov, Atanas P.; Statkova-Abeghe, Stela Synthetic Communications, 1998 , vol. 28, # 10 p. 1857 - 1864

Safety Information

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

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Computational Chemistry Data

  • TPSA   79.53
  • LogP   1.8122
  • H_Acceptors   7
  • H_Donors   0
  • Rotatable_Bonds   2

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