Molecular mechanics:the cross-conjugated carbonyl group in heterocyclic compounds. 3. Parameterisation (MM2) of the adjacent C=C bond: evaluation tests

2001 ◽  
Vol 7 (4) ◽  
pp. 43-53 ◽  
Author(s):  
Germaine Robinet ◽  
Jean-Philippe Rameau ◽  
Jean Devillers
Keyword(s):  
Carbonyl Group ◽  
Heterocyclic Compounds ◽  
Bond Evaluation

scholarly journals Synthesis of Heterocyclic Compounds Containing Sulphur From Ethylene Diamine Tetra Acetic acid Derivatives

2020 ◽  
Vol 11 (SPL4) ◽  
pp. 1006-1011
Author(s):  
Khudheyer Jawad Kadem
Keyword(s):  
Carbonyl Group ◽  
Heterocyclic Compounds ◽  
Thioglycolic Acid ◽  
Biological Activities ◽  
Ethylene Diamine ◽  
Mercaptoacetic Acid ◽  
Schiff’S Bases ◽  
Schiff's Bases ◽  
Ft Ir ◽  
Set Up

In this work, three novel Schiff's bases subsidiaries were set up from Ethylene Diamine Tetra Acetic corrosive Derivatives(K1, K2 and K3); (K1) which was blend from response of EDTA with 4-hydroxybenzaldehyde and 2,4-dintrophenyl hydrazine. (K2) which was union from response of EDTA with vinilline and 2,4-dintrophenyl hydrazine. (K3) which was amalgamation from response of EDTA with 4-aminoacetophenone and 2,4-dintrophenyl hydrazine after that combination three novel hetrocyclic compound Containing Sulfur molecule; Derivative with compounds containing carbonyl group (aldehyde or ketone) the carbonyl group of aldehyde or ketone react with primary amine to produce mine compounds (Schiff bases), Reaction of produced Schiff base compounds with mercaptoacetic acid (thioglycolic acid) to synthesized new heterocyclic compounds Compounds with heterogeneous ring are characterized by having many biological activities Which attracts the attention of researchers, and accordingly various derivatives containing sulfur were prepared for heterocyclic compounds, these prepared compounds can have inhibitory activity for some bacteria, fungi, and viruses. (M1,M2 and M3)which were union from response of (K1,K2 and K3) individually with marcaptoacetic acid. All of the Schiff’s bases derivatives and hetrocyclic compound Containing Sulphur atom were characterized and identified by spectroscopic methods ( FT-IR and 1H-NMR) spectroscopies.

Tales of the Unexpected in Synthesis of Polyfunctional Heteroaromatics

2018 ◽  
Vol 15 (5) ◽  
pp. 587-602 ◽  
Author(s):  
Moustafa S. Moustafa ◽  
Saleh M. Al-Mousawi ◽  
Hesham R. El-Seedi ◽  
Mohamed H. Elnagdi
Keyword(s):  
Carbonyl Group ◽  
Research Group ◽  
Carbonyl Compounds ◽  
Heterocyclic Compounds ◽  
Heteroaromatic Compounds ◽  
New Methods ◽  
Dehydroacetic Acid

Background: Our research group has a longstanding interest in the synthesis of novel functionalized heteroaromatic compounds, and the development of new methods for this purpose. During our ongoing investigations, we recently had an instance to check the reproducibility of some published results concerning the chemistry of arylhydrazonals, enamines and other functionally substituted carbonyl compounds. This work has led to the discovery of some new rearrangements, and the revision of the structures originally assigned to several molecules. Objective: This review surveys some correction of several erroneous reports that have appeared in the literature, and presents some interesting new rearrangements discovered in the course of investigating older reports. Results: The crystallographic studies revealed that the condensation of arylhydrazonals with active methylenenitriles yields arylazoniconates rather than pyridazenones as previously reported. Additionally, phenathylthiocyanate reacts with malononitrile to afford thiazoles rather than the previously reported condensation with the carbonyl group. In another example, the reaction of phenethylmalononitrile with hydrazine yields pyrazolopyridazenes rather than phenacylpyrazol-3,5-diamine. In yet another case, several interesting Dimrothtype rearrangements were observed when malononitrile was condensed with enaminones, contradicting earlier reports. Unexpectedly, these enaminones underwent self-trimerization to yield 1,3,5-trisubstituted benzenes under certain conditions. Enaminonitriles also undergo interesting and novel Dimroth rearrangements when reacted with cyclohexanedione or dehydroacetic acid derivatives. Conclusion: We have shown that the structures of several complex heterocyclic compounds that have been reported in the literature over the last 50 years were incorrectly assigned, possibly because the authors who originally reported them were using substandard or outdated analytical equipments.

Theoretical study and synthesis of the reaction between triphenylphosphine, dialkyl acetylenedicarboxylates and 2-aminobenzimidazole, 2-hydroxy-3-nitropyridine or 1,2,3,4-tetrahydrocarbazole

2010 ◽  
Vol 75 (8) ◽  
pp. 785-805 ◽  
Author(s):  
Sayyed Mostafa Habibi-Khorassani ◽  
Malek Taher Maghsoodlou ◽  
Ali Ebrahimi ◽  
Reza Heydari ◽  
Nourollah Hazeri ◽  
...  
Keyword(s):  
Double Bond ◽  
Carbonyl Group ◽  
Heterocyclic Compounds ◽  
Theoretical Study ◽  
Theoretical Calculations ◽  
Phosphorus Ylides ◽  
Geometrical Isomers ◽  
Dialkyl Acetylenedicarboxylates ◽  
Single Isomer ◽  
Stable Phosphorus Ylides

Triphenylphosphine reacts with dialkyl acetylenedicarboxylates in the presence of heterocyclic compounds, such as 2-aminobenzimidazole, 2-hydroxy-3-nitropyridine or 1,2,3,4-tetrahydrocarbazole to generate stable phosphorus ylides. Some ylides exist in solution as a mixture of two geometrical isomers as a result of restricted rotation around the carbon–carbon partical double bond resulting from conjugation of the ylide moiety with the adjacent carbonyl group, whereas others occur as a single isomer only. For this reason, the assignments of more stable Z- or E-isomers as the major or minor forms were investigated using theoretical calculations.

scholarly journals Synthesis and Characterization of New Heterocyclic Compounds from Calix [4] arene Derivative

2020 ◽  
Vol 11 (3) ◽  
pp. 3143-3150
Author(s):  
Khudheyer Jawad Kadem
Keyword(s):  
Carbonyl Group ◽  
Primary Amine ◽  
Heterocyclic Compounds ◽  
Aminobutyric Acid ◽  
Mercaptoacetic Acid ◽  
Arene Derivative ◽  
Leaving Group ◽  
Acid Reaction ◽  
Ft Ir

In this work, a new heterocyclic compounds derived from Calix[4]arene Derivative had been synthesized. The characterization of the produced compounds was performed using melting point, FT-IR spectroscopy and some of them with 1H-NMR spectroscopy. The spectral data confirm the formation of these compounds. This research includes the following two parts:- Part 1: Synthesis of Calix[4]arane Derivative from reaction Calix[4]arane with 4- Aminobutyric acid to produce ester compound this part4-Aminobutyric acid reaction with freshly distilled thinly chloride , the produce final was purified via distillation below pressure reduced. The product was purified by repeated recrystallization. In this step Converted the substituted carboxylic acid to substituted acid chloride included to obtained good leaving group the compound product containing primary amine and the reaction of Calix[4]arane Derivative with compounds containing carbonyl group(aldehyde or ketone) the carbonyl group of aldehyde or ketone react with primary amine to produce imine compounds(Schiff bases. Part 2: Reaction of produced Schiff base compounds with mercaptoacetic acid (thioglycolic acid) or maleic anhydride to synthesized new heterocyclic compounds Compounds with heterogeneous ring are characterized by having many biological activitiesWhich attracts the attention of researchers, and accordingly various derivatives containing sulfur or oxygen were prepared for heterocyclic compounds, these prepared compounds can have inhibitory activity for some bacteria, fungi, and viruses.

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