Regioselectivity and deuterium isotope effects in geraniol hydroxylation by the cytochrome P-450 monooxygenase from Catharanthus roseus (L.) G. Don was written by Fretz, Heinz;Woggon, Wolf Dietrich. And the article was included in Helvetica Chimica Acta in 1986.Computed Properties of C12H18O3 The following contents are mentioned in the article:
The hydroxylation of geraniol (I) by cytochrome P 450 from the subtropical plant C. roseus was optimized to give 8-hydroxygeraniol as the single product in 35% yield. Incubations of different 13C- and 2H-labeled geraniols revealed that H abstraction was completely regioselective in favor of the CH3 group trans to the chain at C(6) of I. An intramol. deuterium isotope effect kH/kD of 8.0 was determined, suggesting that H abstraction is one of the major rate-contributing steps; however, the intramol. isotope effect was surprisingly inverse at low conversion, kH/kD = 0.50, indicating the existence of rate-contributing steps preceding the 1st irreversible, isotope-sensitive reaction in the sequence. This study involved multiple reactions and reactants, such as (2E,6E)-3,7-Dimethyl-8-oxoocta-2,6-dien-1-yl acetate (cas: 37905-02-5Computed Properties of C12H18O3).
(2E,6E)-3,7-Dimethyl-8-oxoocta-2,6-dien-1-yl acetate (cas: 37905-02-5) belongs to esters. Esters are also usually derived from carboxylic acids. It may also be obtained by reaction of acid anhydride or acid halides with alcohols or by the reaction of salts of carboxylic acids with alkyl halides. Because of their lack of hydrogen-bond-donating ability, esters do not self-associate. Consequently, esters are more volatile than carboxylic acids of similar molecular weight.Computed Properties of C12H18O3
Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics