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CS-W001157 4
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5-(tert-Butyl)-2-iodophenol

  • CAS No. 20942-70-5

  • Cat. No. CS-0038658
  • Molecule weight276.11
  • Purity≥97%
  • MDL No.None

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

5-(tert-Butyl)-2-iodophenol|CS-0038658

Structure of 20942-70-5

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General Information

  • CAS No. 20942-70-5
  • Cat. No. CS-0038658
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₃IO
  • Molecular Weight 276.11
  • Synonym(s) 5-Tert-butyl-2-iodophenol
  • SMILES CC(C)(C)C1=CC=C(C(=C1)O)I

Description

5-(tert-Butyl)-2-iodophenol features a sterically hindered tert-butyl group flanking a reactive iodophenol motif, enabling selective cross-coupling under mild conditions. This bench-stable derivative delivers high functional group tolerance and efficient integration into complex molecular architectures via palladium-catalyzed transformations.

Application

5-(tert-Butyl)-2-iodophenol serves as a versatile building block in cross-coupling chemistry, enabling efficient Suzuki and Stille reactions due to its stable aryl iodide functionality. The electron-donating tert-butyl group enhances solubility and reduces oxidative degradation, while the phenolic hydroxyl facilitates orthogonal derivatization. This compound exhibits excellent bench stability and is compatible with standard purification protocols, making it ideal for constructing complex heterocyclic scaffolds and functionalized arenes 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
Precautionary Statements : P264-P270-P280-P302+P352-P330-P362+P364-P501

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Computational Chemistry Data

  • TPSA   20.23
  • LogP   3.2943
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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