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2-Bromo-1-ethyl-1H-imidazole

  • CAS No. 663171-12-8

  • Cat. No. CS-0188399
  • Purity≥97%
  • MDL No.None

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

2-Bromo-1-ethyl-1H-imidazole|CS-0188399

Structure of 663171-12-8

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General Information

  • CAS No. 663171-12-8
  • Cat. No. CS-0188399
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₇BrN₂
  • Molecular Weight 175.03
  • Synonym(s) None
  • SMILES CCN1C=CN=C1Br

Description

2-Bromo-1-ethyl-1H-imidazole is a bench-stable, moisture-tolerant heterocyclic bromide featuring an electron-deficient imidazole core. This compound serves as a selective electrophilic coupling partner in transition-metal-catalyzed cross-coupling reactions. The ethyl substitution enhances solubility in common organic solvents while maintaining reactivity for C–C and C–heteroatom bond formation.

Application

2-Bromo-1-ethyl-1H-imidazole serves as a versatile electrophilic imidazole derivative, enabling efficient C–H functionalization and heterocycle construction. Its bromine atom facilitates palladium-catalyzed cross-coupling reactions, while the N-ethyl group enhances solubility and stability in organic media. This reagent functions reliably in standard synthetic workflows, offering predictable reactivity and ease of purification—ideal for building complex nitrogen-containing scaffolds in medicinal chemistry and materials science applications.

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2810
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P330-P405-P501

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Computational Chemistry Data

  • TPSA   17.82
  • LogP   1.6655
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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