Phenethyl phenyl ether

OHD = 2-hydroxydiphenylmethane o-Cr = o-Cresol EtBz - EthylBenzene PPE = Phenethyl Phenyl Ether GGE = Guaiacylglycol- -guaiacyl Ether AV = Acetovanilone 4PP = 4-Phenoxyphenol... 

FIGURE 7.4 Phenethyl phenyl ether (PPE) with naturally occurring hydroxy and methoxy substituents. 

CASE STUDIES SUBSTITUENT EFFECTS ON REACTIONS OF PHENETHYL PHENYL ETHERS... 

Rate expressions are recommended to be used as relative quantities only. PPL, phenethyl phenyl ether a-PPE", a-radical of PPL )8-PPE, )8-radical of PPL TST, transition state theory including anharmonic corrections TST, transition state theory including anharmonic corrections and Wigner tunneling correction SS, steady-state approximation for intermediate. 

Case Studies Substituent Effects on Reactions of Phenethyl Phenyl Ethers... 

The mechanism of the pyrolysis of phenethyl phenyl ether as dimeric lignin model compounds has been studied by DFT methods at B3LYP/6-31G(d) level. Ten possible pyrolytic pathways were proposed including two concerted reactions and eight free-radical reactions. The calculation results show that all reactions are endothermic. The... 

Lignin Model Compounds 32.1 Phenethyl Phenyl Ether 3.22 Other Lignin Models... 

Klein MT, Virk PS. Model pathways in lignin thermolysis. 1. Phenethyl phenyl ether. Ind Eng Chem Fundam. 1983 22 35-45. 

Britt PF, Buchanan AC, Malcolm EA. Thermolysis of phenethyl phenyl ether a model for ether linkages in lignin and low rank coal. J Org Chem. 2008 60 6523-6536. 

Jarvis MW, Daily JW, Catstensen HH, et al. Direct detection of products from the pyrolysis of 2-phenethyl phenyl ether. J Phys Chem A. 2011 115 428-438. 

Haung X, Liu C, Huang J, Li H. Theory studies on pyrolysis mechanism of phenethyl phenyl ether. Comput Theor Chem. 2011 976 51-59. 

Beste A, Buchanan III AC, Britt PF, Hathom BC, Harrison RJ. Kinetic analysis of the pyrolysis of phenethyl phenyl ether computational predictions of a/ 3 selectivities. JPhys ChemA. 2007 111 12118-12126. 

Beste A, Buchanan III AC, Harrison RJ. Computational prediction of a/P selectivities in the pyrolysis of oxygen-substituted phenethyl phenyl ethers.J Phys Chem A. 2008 112 4982-4988. 

Beste A, Buchanan III AC. Computational study of bond dissociation enthalpies for lignin model compounds substituent effects in phenethyl phenyl ethers. J Org Chem. 2009 74 f-2841. 

Beste A, Buchanan III AC. Computational investigation of the pyrolysis product selectivity for a-hydroxy phenethyl phenyl ether and phenethyl phenyl ether analysis of substituent effects and reactant conformer selection. J Phys Chem A. 2013 117 3235—3242. 

Beste A, Buchanan AC. Role of carbon-carbon phenyl migration in the pyrolysis mechanism of beta-O-4 lignin model compounds phenethyl phenyl ether and alpha-hydroxy phenethyl phenyl ether. J Phys Chem A. 2012 116 12242-12248. Chu S, Subrahtnanyam A, Huber GW. The pyrolysis chemistry of a beta-O-4 type oligomeric lignin model compound. Green Chem. 2013 154 125-136. 

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