The novel ester product (thymyl arachidate, or 2-isopropyl-5-methylphenyl icosanoate) formed by refluxing thymol and arachidic acid in acetonitrile with EDC.HCl and DMAP. The acid wasn't particularly soluble in the reaction mixture until heated and stirred vigorously, and the reaction solution was clear during reflux with the product falling out of solution as it cooled. Upon use of a Rotavapor with a waterbacth at 40 ºC to dry the product after workup, the product was a...
10.14469/ch/191339 with GD3BJ dispersion, triplet G = -4003.428053 => C2 freq (Si-Si 3.185) -4003.427512Henry Rzepa
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Reaction of Linolenic acid and Guaiacol was carried out under reflux with EDC.HCl and DMAP as the catalyst to produce an the ester. Ester was then isolated using aqueous organic workup using Hexane as the solvent. Ester was then filtered using gravity filtration and rotary evaporator was used to remove the solvent.
Reacted eugenol and cyclohexaneacetic acid with DMAP, EDC.HCl, in acetonitrile under reflux, then extracted from hexane solvent with rotary evaporator. NMR run in CDCl3.
Reaction of guiacol (2-methoxyphenol) and elaidic acid ((E)-octadec-9-enoic acid) to produce the corresponding ester of 2-methoxyphenyl (E)-octadec-9-enoate. Refluxed at 100 degrees Celsius with a solvent of acetonitrile (boiling point of 83 degrees Celsius), EDC.HCL and dimethyl amino pyridine which produced a urea byproduct. The reaction over an hour was monitored by TLC analysis comparing presence of guaiacol in reaction mixture over time (being the limiting factor). The compound was then isolated from the solvent and...
Non-purified esterification of 5 mmol of guaiacol and 5.5 mmol behenic acid. Reaction mixture of starting materials along with DMAP and EDC.HCL in acetonitrile refluxed at 90 degrees Celsius for an hour. Washed mixture using hydrochloric acid then sodium bicarbonate then water then brine. Dried with magnesium sulfate and filtered under gravity. Used rotary evaporator to remove solvent.
Synthesis of 2-methoxy-4-(3-oxobutyl)phenyl 2-(p-tolyl)acetate from zingerone and 4-methylphenylacetic acid. The peak at 3.5-4.0ppm has an integration of 5.29 - We believe that part of this is due to the zingerone (excess phenol, impurity in this case). The phenol would also take up a few peaks in the aromatic region, 6.5-7.5ppm.
Esterification reaction to form 2-methoxy-4-(3-oxobutyl)phenyl 2-cyclohexylacetate from Zingerone and Cyclohexaneacetic Acid. Reaction was performed in acetonitrile with DMAP and EDC.HCl as catalysts. The product was then extracted from the solvent using an aqueous/organic workup, leaving it dissolved in hexane, which was then removed using a rotary evaporator. The ester is an oil, which was slightly volatile at room temperature. From looking at the spectrum, the sample is fairly pure, but it might be contaminated with...
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Reaction of isoeugenol with cyclohexane carboxylic acid under reflux. Then aqueous/organic work up was carried out to isolate the product.
synthesis of 4-allyl-2-methoxyphenyl tetracosanoate from lignoceric acid and eugenol using magnesium sulphate as a drying reagent.
Reactants used where isoeugenol and 4-tert-butylcyclohexanecarboxylic acid to form 2-methoxyphenyl 4-(tert-butyl)cyclohexane-1-carboxylate. Using magnesium sulphate as a drying reagent.
I reacted myristic acid with zingerone in reflux to produce an ester (4-(3-methoxy-4-(pentadec-1-en-2-yloxy)phenyl)butan-2-one). The ester was purified using organic workup techniques to remove impurities and water. The ester was then extracted into hexane. The hexane was removed from the ester using a rotary evaporator.
NMR data from the ester 2-methoxy-4-(3-oxobutyl)phenyl tridecanoate.
2-isopropyl-4-methylphenyl docosanoate is produced by reacting thymol with lignoceric acid with heating under reflux, and EDC.HCl acts as a condensing agent, while DMAP acts as a catalyst.
2-isopropyl-5-methylphenyl 2-(4-methoxyphenyl)acetate was produced by the reaction of thymol and 4-methoxyphenylacetic acid with heating under reflux, and EDC.HCl acts as a condensing agent, while DMAP acts as a catalyst.
2-isopropyl-5-methylphenyl (Z)-hexadec-9-enoate is produced by thymol react with oleic acid with with heating under reflux, and EDC.HCl acts as a condensing agent, while DMAP acts as a catalyst.
2-isopropyl-5-methylphenyl (E)-octadec-9-enoate was produced by the reaction of thymol and elaidic acid with heating under reflux, and EDC.HCl acts as a condensing agent, while DMAP acts as a catalyst.
10.14469/ch/191331 with GD3BJ dispersion, singlet G = -4003.441420 => C2 symmetry NBO Wiberg 2-3 = 0.5660Henry Rzepa
Gaussian Calculations: Equilibrium Formation of a Stable All-Silicon Version of a 1,3-CyclobutandiylHenry Rzepa
Gaussian 16 Calculations
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Imperial College London13,561
University of Oxford12
University of Cambridge5
Natural History Museum4
University College London4
University of Queensland3
French National Centre for Scientific Research3
University of Sheffield3
National University of San Marcos2
Royal Botanic Gardens2
University of Lausanne2
University of Edinburgh2
National Autonomous University of Mexico2