A density functional theory study on π-nucleophilicity and electron-transfer oxidation of silyl enol ethers and ketene silyl acetals

2010 ◽  
Vol 945 (1-3) ◽  
pp. 64-70 ◽  
Author(s):  
Sanjib Deuri ◽  
Prodeep Phukan
Keyword(s):  
Density Functional Theory ◽  
Electron Transfer ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Enol Ethers ◽  
Silyl Enol Ethers ◽  
Silyl Acetals

scholarly journals Mechanistic insight of TiCl4catalyzed formal [3 + 3] cyclization of 1,3-bis(silyl enol ethers) with 1,3-dielectrophiles

RSC Advances ◽  
2015 ◽  
Vol 5 (114) ◽  
pp. 94304-94314 ◽  
Author(s):  
Riffat Un Nisa ◽  
Maria Maria ◽  
Fatima Wasim ◽  
Tariq Mahmood ◽  
Ralf Ludwig ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Functional Theory ◽  
Enol Ethers ◽  
Silyl Enol Ethers ◽  
B3lyp Level ◽  
Mechanistic Insight

The mechanism of TiCl4mediated formal [3 + 3] cyclization of 1,3-bis(silyl enol ethers) with 1,3-dielectrophiles is studied at the B3LYP level of density functional theory (DFT) to rationalize the experimental regioselectivity.

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