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Ethyl 2-oxo-2,3-dihydro-1h-1,3-benzodiazole-1-carboxylate

  • CAS No. 41120-23-4

  • Cat. No. CS-0214840
  • Molecule weight206.20
  • Purity≥97%
  • MDL No.None

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

Ethyl 2-oxo-2,3-dihydro-1h-1,3-benzodiazole-1-carboxylate|CS-0214840

Structure of 41120-23-4

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General Information

  • CAS No. 41120-23-4
  • Cat. No. CS-0214840
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀N₂O₃
  • Molecular Weight 206.20
  • Synonym(s) ethyl 2-oxo-3H-benzimidazole-1-carboxylate
  • SMILES O=C(N1C(NC2=CC=CC=C21)=O)OCC

Synthesis

  • Route1
    • 1,3-Dihydro-2H-benzo[d]imidazol-2-one Rabeprazole Impurity|CS-0166731
      615-16-7
    • Diethyl 2-oxo-1H-benzo[d]imidazole-1,3(2H)-dicarboxylate|CS-0336970
      161468-57-1
    • ~99%
    • Ethyl 2-oxo-2,3-dihydro-1h-1,3-benzodiazole-1-carboxylate|CS-0214840
      41120-23-4

    References

    • ABBOTT GMBH and CO. KG Patent: WO2008/25736 A1, 2008 ; Location in patent: Page/Page column 60-61 ; WO 2008/025736 A1
  • Route2
    • 1,3-Dihydro-2H-benzo[d]imidazol-2-one Rabeprazole Impurity|CS-0166731
      615-16-7
    • Ethyl pyridin-2-yl carbonate|CS-0670973
      7325-39-5
    • ~94%
    • Ethyl 2-oxo-2,3-dihydro-1h-1,3-benzodiazole-1-carboxylate|CS-0214840
      41120-23-4

    References

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

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-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   64.09
  • LogP   1.3342
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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