Monday, February 3, 2014

Biological Evidence of a Diels-Alder Reaction





The Diels-Alder reaction was named from German chemists Otto Diels and Kurt Alder.  It is an organic chemical mechanism in which a conjugated diene and a dienophile form a substituted cyclohexane ring.  In these reactions, three pi bonds break and two sigma bonds and one pi bond forms.
                               
                                                                                                                          General examples
                                               
                                      1, 3-diene              dienophile
 
It has recently been found that there are enzymes that mediate the Diels-Alder reaction in secondary metabolic biosynthetic pathways.  One class of natural products that are believed to exhibit this are polyketides.  These are derived from acetate which makes them well-suited for experiments because they are readily available and relatively cheap.  Because of this, a big part of the experimental evidence of Diels-Alder reaction in nature is derived from this class.
 
The polyketide that has been given the most significant attention is lovastatin (chemical structure shown below) because it is a potent inhibitor of cholesterol biosynthesis in humans. 
 
              1 Lovastatin structure
 
Chemists have speculated that the enzymes involved in the biosynthesis of lovastatin (11) are similar to those involved in the biosynthesis of fatty acids.[9] They proposed that condensation of acetate units could produce a triene (12) that would undergo an endo-selective Diels–Alder cycloadditon to the decalin (13).2
 
 
2 Synthesis of the declan (14) through an in vitro Diels-Alder cyclization of triene (15)
 
In the image above, product 14a is the endo Diels-Alder product while 14d is the exo products.  The reaction mechanism shown took place in the presence of toluene as well as with an acid catalyst.  Under the thermal conditions (with toluene) the endo to exo products were in a 1:1 ratio.
 
These products were in a 19:1 endo-exo ratio under the conditions of a Lewis acid catalyst. There was an absence of 14a in the laboratory cyclization which suggests that the Diels-Alder cyclization in the biogenesis of lovastin could be enzymatic.
 
                                                                                                                                                                                                                 
 Sources
 
 




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