The mechanisms for the acid-catalyzed gas-phase dehydration of the tertiary alcohols 2-methyl-2-propanol, 2-methyl-2-butanol, and 2-methyl-2-pentanol were examined at B3LYP/6-31G(d), B3LYP/6-31G(d,p), B3LYP/6-31G(2d,p), B3LYP/6-31G(2d,2p), B3PW1/6-31G(d), B3PW1/6-31...
A very wide range of alcohols may be dehydrated by this process; for example ethanol; other hydrocarbyl alcohols, such as n-propanol, i-propanol, butanol, pentanol, hexanol, octanol or longer chain alcohols; diols such as butanediol; alcohols with other organic functionality, such as ether, ...
The selective transformation of secondary alcohols to alpha-olefins is a challenging task in heterogeneous catalysis, as is the case of 4-methyl-2-pentanol (4M2Pol) conversion to 4-methyl-1-pentene (4M1P). Herein, the co-precipitated yttria-stabilized zirconia (YSZ) catalysts exhibit superior ...
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2-methyl-2-butanolThe gas-phase thermal dehydration mechanism of tert-butanol, 2-methyl-2-butanol, 2-methyl-2-pentanol and 2,3-dimethyl-2-butanol by homogeneous catalysis of hydrogen bromide was examined by density functional theory calculations with the hybrid functionals: M062X, CAMB3LYP and ...
These were shown to proceed by the “anti” mode of elimination of elements of water. The effect of sodium impregnation has been studied, in detail, to understand the mode of elimination operative over these doped catalysts. Studies were conducted with 2-butanol and threo-3-methyl-2-pentanol ...
The modes of elimination in the case of alumina and thoria have been shown to be anti and syn, respectively, from the results of the dehydration studies with threo-3-methyl-2-pentanol. Studies of alcohols with proper β-substituents revealed that the cis preference is not universal in all ...
1. Zirconium phosphate possesses high activity in the dehydration of pentanol-1 and cyclohexanol. 2. The pentene-1 formed from pentanol-1 isomerizes to pentene-2 to a substantial degree. The dehydration of cyclohexanol is accompanied by substantial isomerization of the cyclohexene to methyl-...
On the other hand, the presence of hydrogen often noticeably increased the selectivityversusallyl alcohol formation, reaching the considerable value of 90% in the case of reaction conducted in 2,4-dimethyl-3-pentanol with ReO3. The DODH reaction always exhibits a definite induction time that, ...
Vapour phase conditions are used and reaction times of 0.1 second to 15 minutes. Many starting materials are specified: the examples describe the conversions of methylcyclohexylcarbinol to vinylcyclohexane, 2-octanol to 1-octane and 4-methyl-2-pentanol to 4-methyl-1-pentene....