5299-35-4Relevant academic research and scientific papers
Generation and trapping of ketenes in flow
Henry, Cyril,Bolien, David,Ibanescu, Bogdan,Bloodworth, Sally,Harrowven, David C.,Zhang, Xunli,Craven, Andy,Sneddon, Helen F.,Whitby, Richard J.
, p. 1491 - 1499 (2015/03/04)
Ketenes were generated by the thermolysis of alkoxyalkynes under flow conditions, and then trapped with amines and alcohols to cleanly give amides and esters. For a 10 min reaction time, temperatures of 180, 160, and 140 °C were required for >95% conversion of EtO, iPrO, and tBuO alkoxyalkynes, respectively. Variation of the temperature and flow rate with inline monitoring of the output by IR spectroscopy allowed the kinetic parameters for the conversion of 1-ethoxy-1-octyne to be easily estimated (Ea = 105.4 kJ/mol). Trapping of the in-situ-generated ketenes by alcohols to give esters required the addition of a tertiary amine catalyst to prevent competitive [2+2] addition of the ketene to the alkoxyalkyne precursor.
Synthesis, antimicrobial evaluation, QSAR and in silico ADMET studies of decanoic acid derivatives
Kumar, Ashwani,Singh, Surender,Jain, Sandeep,Kumar, Parvin
experimental part, p. 191 - 204 (2011/10/09)
Various derivatives of decanoic acid (CD) have been synthesized and evaluated against Gram positive B. subtilis, S. aureus and Gram negative E. coli bacteria as well as against fungi C. albicans and A. niger. Quantitative structure activity relationship (QSAR) models for antimicrobial activities were developed using multiple linear regression and cross validated by leave one out (LOO) approach. QSAR studies indicated that activity against Gram positive bacteria was governed by lipophilicity of the compounds while topological steric nature of the molecule was deciding factor for antifungal activity. Further, in silico ADMET studies showed that compounds CD12, 19, 20 and 23 could be explored further for other activities.
Tighter ion pair effect and scale-up study in microwave assisted aminolysis of enolizable esters using potassium tert-butoxide (t-BuOK)
Polshettiwar, Vivek,Kaushik
, p. 773 - 777 (2007/10/03)
The tighter ion pair effect and scale-up study in aminolysis of enolizable esters using potassium tert-butoxide (t-BuOK) under microwave irradiations is described. This method provides synthetic advantages in terms of reaction time, product yields, eco-friendly environment and scale-up feasibility over the conventional heating method.
