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tert-Butyl 2-bromo-1H-imidazole-1-carboxylate

  • CAS No. 1207457-15-5

  • Cat. No. CS-0133230
  • Molecule weight247.09
  • Purity≥98%
  • MDL No.None

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

tert-Butyl 2-bromo-1H-imidazole-1-carboxylate|CS-0133230

Structure of 1207457-15-5

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General Information

  • CAS No. 1207457-15-5
  • Cat. No. CS-0133230
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₁BrN₂O₂
  • Molecular Weight 247.09
  • Synonym(s) 2-Methyl-2-propanyl 2-bromo-1H-imidazole-1-carboxylate
  • SMILES O=C(N1C=CN=C1Br)OC(C)(C)C

Description

tert-Butyl 2-bromo-1H-imidazole-1-carboxylate is a bench-stable, moisture-tolerant building block featuring a brominated imidazole core. This reagent integrates readily into cross-coupling reactions and enables efficient access to functionalized imidazolyl scaffolds under standard conditions.

Application

tert-Butyl 2-bromo-1H-imidazole-1-carboxylate serves as a versatile building block for the synthesis of brominated imidazole derivatives. Its stability under standard conditions and compatibility with palladium-catalyzed cross-coupling reactions enable efficient construction of functionalized heterocycles. The tert-butyl carbamate group provides convenient protection and orthogonal deprotection, facilitating downstream modifications in medicinal chemistry and materials science applications.

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   44.12
  • LogP   2.4288
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   0

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