Selective deprotection of thioacetates (-SAc) in the presence of methyl esters (-COOMe)

Selective deprotection of thioacetates (-SAc) in the presence of methyl esters (-COOMe) can be challenging due to the potential hydrolysis of esters under many deprotection conditions. However, several selective methods exist:

1. Raney Nickel Desulfurization

  • Reagent: Raney Nickel in ethanol or methanol
  • Mechanism: Raney Nickel cleaves the C–S bond, converting thioacetates into free thiols (-SH).
  • Selectivity: Methyl esters remain intact as they are not affected under these conditions.
  • Example: Used frequently in peptide chemistry for thiol deprotection.

2. Sodium Methoxide (NaOMe) in Methanol (Mild Conditions)

  • Reagent: Catalytic or mild NaOMe in MeOH at low temperature (0–5°C)
  • Mechanism: Thioacetates undergo transesterification faster than methyl esters.
  • Selectivity: Controlled conditions allow selective removal of thioacetates while minimizing ester cleavage.
  • Example: Common in sugar and peptide chemistry.

3. Thiolysis with Mercaptoethanol or Dithiothreitol (DTT)

  • Reagents:
    • Mercaptoethanol (HOCH₂CH₂SH)
    • DTT (Dithiothreitol)
  • Mechanism: Thiols exchange with the acetate group selectively.
  • Selectivity: Methyl esters remain unaffected.
  • Example: Used in biochemical applications for selective deprotection.

4. Ammonium Hydroxide in Methanol

  • Reagent: NH₄OH in MeOH
  • Mechanism: Ammonolysis of thioacetates is significantly faster than ester hydrolysis under controlled conditions.
  • Selectivity: Works best when esters are sterically hindered.

5. Zinc and Acetic Acid (Zn/AcOH Reduction)

  • Reagent: Zn dust in AcOH (or HCl/THF)
  • Mechanism: Selective reduction of thioacetates without affecting esters.
  • Selectivity: Methyl esters are stable under these conditions.

Conclusion:

  • Best choice: Raney Nickel, NaOMe (mild), or thiolysis with mercaptoethanol are the most selective methods.
  • Avoid: Strong bases (e.g., NaOH, KOH) or acids (e.g., HCl, TFA) which can hydrolyze methyl esters.

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