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Register a new userStudy of the Reaction of 1- Halogen Esters with Thiourea and their derivatives
دراسة تفاعل 1- هالوجين الاسترات مع تيوالبولة ومشتقاتها
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Aِl-Baath University رسالة ماجستير
Publication date
2018
fields
Chemistry
and research's language is
العربية
Created by
Shamra Editor
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يتضمن هذا البحث صناعة المركبات التالية: اصطناع ثلاثة مركبات 1- كلور الإسترات . 2- اصطناع مشتقات إسترية لتيوالبولة . 3- اصطناع مشتق لتيوالبولة وهو ايتلن تيوالبولة . 4- اصطناع مشتقات إسترية لإيتلن تيوالبولة
This research includes the manufacture of the following compounds: Synthesis of three compounds 1- Chlorine esters. 2- Synthesis of ester derivatives of Tiwalbola. 3- Synthesizing a derivative of Tiwalbola, which is Ethylene Tiwalbola. 4- Synthesis of ester derivatives of Ethylene Tiwalpola
References used
حلمي . جيهان , مدور . رشدي (2017) " اصطناع كارباميدويل ثيو (4-نتروفينيل) ميتيل البنزوات "
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In this research, we have used eco-friendly method to prepare four derivatives of 1,2,4-triazole Esters by using the following general nucleophilic substitution reaction.
The 1,3-dipolar cycloaddition of the aryl azide and some its of derivatives with cyclohex-
2-en-1-one was studied theoretically using different methods of Density Functional
Theory (DFT): B3LYP, B3PW91, MPW1PBE, MPW1PW91 and M062X with the basic
s
et 6-31g(d). Most of the used levels of theories provide closed results qualitatively, and
the results of the level of theory M062X / 6-31g (d) show that these reactions in the gas
state are spontaneously to form two products, but all the reactions are very slow and one of
the products P1 is more spontaneous and faster than the other P2 , and when these
reactions were studied with different solvents, it is found that solvents to have no actual
effects on the rates of these reactions.
The results of the level of theory M062X / 6-31g (d) indicate that the Gibbs free energy of
the reactions for the substitutes of Aryl increases in negative values in order of 2,6-Cl, -4
NO2, 4-OCH3, 3-OCH3, 3-Cl, 2 -Cl, H-; i.e., the substitutes do not have a significant
effect on the spontaneity of reactions compared to the substitute-H. It was observed that
TS-P1 transition state energy for all substitutes was lower than TS-P2 transition state
energy.
The 1,3-dipolar cycloaddition of the aryl azide and some its of derivatives with cinnamic
acid was studied theoretically using different methods of Density Functional Theory
(DFT): B3LYP, B3PW91, MPW1PBE, MPW1PW91 and M062X with the basic set 6-
3
1g(d). Most of the used levels of theories provide closed results qualitatively, and the
results of the level of theory M062X / 6-31g (d) show that these reactions in the gas state
carried out spontaneously to form several stable energy products; the products P1 and P2
are most stable, but all the reactions are very slow and one of the products P1 is more
spontaneous than P2 , but the formation reaction of P2 is faster.
On the other hand, when these reactions were studied with different solvents, it is found
that solvents to have no actual effects on the rates of these reactions.
Kinetic studies were carried out on the reaction between 1,10–
Decanedioland dimeric fatty acid C36 in melt phase. The reaction was
performed at 140, 150, 160, 170, and 185ºC and followed by determining the
acid value of the product.
Kinetic studies were carried out on the reaction between 2-Methyl 1,5
diaminopentane and dimeric fatty acids in melt phase. The reaction was
performed at 113, 130, 140, 155, and 164 ºC and followed by determining the
acid value of the product .The
polyamidation reaction was found to be of
overall second order with an activation energy of 45.48 k cal⁄g mol up to (52, 57,
79, 80, 86)% conversion at (113, 130, 140, 155, 164) ºC and overall third order
with an activation energy of 43.73 k cal⁄g mol above (52, 57, 79, 80, 86)%
conversion at (113, 130, 140, 155, 164) ºC.
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