COT Dication Quintet UCCSD/Def2-SVP B2g vibration 1702 cm-1 (two paired electrons, four unpaired electrons)Henry Rzepa
13C and 1H NMR Spectra.
13C and 1H NMR Spectra
13C and 1H NMR Spectra
NMR spectra for an Equilibrium mixture of 1+2b+3b@300K. NOTE: Compound numberings in the file names refer to a now obsolete scheme and should be disregarded. To view the data using MestreNova, download and install an unlicensed version of the program from https://mestrelab.com/download/mnova/ and then download the .mnpub file corresponding to the data you wish to view. This file provides a license for the MestreNova program for that dataset only, exposing the full functionality of the...
Eugenol (0.8313g, 5.0627 mmol) and pentadecanoic acid (1.357g, 5.598 mmol) were heated under reflux (90 °C) with medium stirring in DMAP (61mg, 0.5 mmol) and EDC.HCl (1.25g, 6.5 mmol) dissolved in acetonitrile (35 mL). After 45 minutes, TLC (eluent: 1-part ethyl acetate to 4-parts hexane) showed no eugenol remained in the flask. The reaction mixture was colourless. The reaction mixture underwent an organic workup: addition of hexane (20 mL) and two washes with hydrochloric acid...
NMR spectra for an equilibrium between 1-mesityl-2,2,3-tris(2,4,6-triisopropylphenyl)-2H-trisilirene (1), 1,3-di-tert-butyl-4,4-dimethyl-4,5-dihydro-1H-1,3,2-diazasilol-3-ium-2-ide (2b) and 1',3'-di-tert-butyl-4',4'-dimethyl-1,3,4,4-tetrakis(2,4,6-triisopropylphenyl)spiro[bicyclo[1.1.0]tetrasilane-2,2'-[1,3,2]diazasilolidine] (3b). NOTE: Compound numberings in file names related to a now obsolete scheme and should be disregarded.
A 15 mL acetonitrile solution was mixed with DMAP (0.0064 g, 0.5 mmol) and EDC.HCl (1.25 g, 6.5 mmol) and refluxed at 92 oC with Cyclohexanecarboxylic acid (0.788 g, 6.15 mmol) and Eugenol (0.826 g, 5.03 mmol). It was cooled at room temperature for a day and a work-up was done to extract the organic layer (Ester & Hexane) which was purified under a rotary evaporator (at 40 oC) to produce the crystallised ester (0.78...
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-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.
NMR data from the ester 2-methoxy-4-(3-oxobutyl)phenyl tridecanoate.
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.
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.
All primary data files for Figure 5 in Wright et al. BMC Biology 2020.
Primary data for Figure 7 in Wright et al. BMC Biology 2020.
Figure S5 data for Wright et al. BMC Biology 2020
Figure S6 data for Wright et al. BMC Biology 2020
there is a singlet at 2.3 ppm which is a anomalous.