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CS-W001157 4
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2-[3-(carboxymethyl)-2-oxo-2,3-dihydro-1h-1,3-benzodiazol-1-yl]acetic acid

  • CAS No. 1848-99-3

  • Cat. No. CS-0223254
  • Molecule weight250.21
  • Purity≥97%
  • MDL No.None

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

2-[3-(carboxymethyl)-2-oxo-2,3-dihydro-1h-1,3-benzodiazol-1-yl]acetic acid|CS-0223254

Structure of 1848-99-3

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General Information

  • CAS No. 1848-99-3
  • Cat. No. CS-0223254
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₀N₂O₅
  • Molecular Weight 250.21
  • Synonym(s) [3-(Carboxymethyl)-2-oxo-2,3-dihydro-1h-benzimidazol-1-yl]acetic acid
  • SMILES O=C(O)CN1C(N(CC(O)=O)C2=CC=CC=C21)=O

Synthesis

  • Route1
    • null|null
      85694-84-4
    • null|null
      79-11-8
    • ~76%
    • 2-[3-(carboxymethyl)-2-oxo-2,3-dihydro-1h-1,3-benzodiazol-1-yl]acetic acid|CS-0223254
      1848-99-3

    References

    • Khalikov, S. S.; Kadyrov, Ch. Sh.; Ayupova, A. T.; Molchanov, L. V. Chemistry of Heterocyclic Compounds (New York, NY, United States), 1985 , vol. 21, # 11 p. 1251 - 1254 Khimiya Geterotsiklicheskikh Soedinenii, 1985 , vol. 21, # 11 p. 1517 - 1520
  • Route2
    • 1,3-Dihydro-2H-benzo[d]imidazol-2-one Rabeprazole Impurity|CS-0166731
      615-16-7
    • ~%
    • 2-[3-(carboxymethyl)-2-oxo-2,3-dihydro-1h-1,3-benzodiazol-1-yl]acetic acid|CS-0223254
      1848-99-3

    References

    • Clark; Pessolano Journal of the American Chemical Society, 1958 , vol. 80, p. 1662

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   101.53
  • LogP   -0.0278
  • H_Acceptors   5
  • H_Donors   2
  • Rotatable_Bonds   4

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