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tert-Butyl 2-oxo-2,3-dihydro-1H-benzo[d]imidazole-1-carboxylate

  • CAS No. 161468-45-7

  • Cat. No. CS-0120607
  • Purity≥95%
  • MDL No.MFCD11226799

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

tert-Butyl 2-oxo-2,3-dihydro-1H-benzo[d]imidazole-1-carboxylate|CS-0120607

Structure of 161468-45-7

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General Information

  • CAS No. 161468-45-7
  • Cat. No. CS-0120607
  • Purity ≥95%
  • MDL No. MFCD11226799
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₄N₂O₃
  • Molecular Weight 234.25
  • Synonym(s) tert-butyl 2-oxo-3H-benzimidazole-1-carboxylate
  • SMILES O=C1N(C(OC(C)(C)C)=O)C2=CC=CC=C2N1

Description

tert-Butyl 2-oxo-2,3-dihydro-1H-benzo[d]imidazole-1-carboxylate is a bench-stable, moisture-tolerant heterocyclic building block featuring a protected imidazole core. This compound integrates seamlessly into synthetic sequences requiring a rigid, electron-deficient scaffold with predictable reactivity at the carbonyl and nitrogen sites.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   64.09
  • LogP   2.1128
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   0

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