In chemical reaction engineering, simulations are useful for investigating and optimizing a particular reaction process or system. Application In Synthesis of (S)-Propane-1,2-diol,
Simple C2-symmetric chiral crown ether 1 complexed with KOtBu was found to work as an efficient chiral catalyst in Michael additions to cause high asymmetric induction.The results with various chiral crown ethers as catalysts suggest that diaxial-like conformation of the vicinal methyl groups of 1<*>potassium enolate complex is responsible for the chiral induction.
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Reference：
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate