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CS-W001157 4
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5-(tert-Butyl)-1H-imidazole

  • CAS No. 21149-98-4

  • Cat. No. CS-0171691
  • Purity≥98%
  • MDL No.None

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

5-(tert-Butyl)-1H-imidazole|CS-0171691

Structure of 21149-98-4

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General Information

  • CAS No. 21149-98-4
  • Cat. No. CS-0171691
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₂N₂
  • Molecular Weight 124.18
  • Synonym(s) 4-tert-butyl-1H-imidazole
  • SMILES CC(C)(C)C1=CN=CN1

Description

5-(tert-Butyl)-1H-imidazole features a sterically hindered tert-butyl group at the 5-position, enhancing stability and solubility in organic media. This bench-stable imidazole derivative serves as a robust scaffold for catalytic systems and functional materials, offering improved resistance to decomposition under standard handling conditions.

Application

5-(tert-Butyl)-1H-imidazole serves as a robust, bench-stable building block for heterocyclic synthesis, offering enhanced solubility and steric protection compared to unsubstituted imidazoles. Its functional group tolerance enables reliable use in transition-metal-catalyzed couplings, electrophilic substitutions, and as a scaffold in medicinal chemistry libraries. The tert-butyl group improves metabolic stability and facilitates purification through crystallization or chromatographic separation.

Safety Information

Download SDS
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-P280-P302+P352

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Computational Chemistry Data

  • TPSA   28.68
  • LogP   1.7072
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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