36615-20-0

Usage

Structure

2-(3,7-dimethylocta-2,6-dien-1-yl)-1H-isoindole-1,3(2H)-dione is a complex chemical compound with a heterocyclic ring containing a nitrogen atom.

Derivative

It is a derivative of isoindole, which is a compound with potential applications in medicinal chemistry.

Diene group

The compound contains a diene group (octa-2,6-dien-1-yl), which is a hydrocarbon with two double bonds.

Biological activity

Isoindole derivatives, including 2-(3,7-dimethylocta-2,6-dien-1-yl)-1H-isoindole-1,3(2H)-dione, have been studied for their potential biological activity, such as anti-inflammatory and anti-cancer properties.

Further research

The specific properties and potential uses of 2-(3,7-dimethylocta-2,6-dien-1-yl)-1H-isoindole-1,3(2H)-dione would require additional research and investigation to be fully understood and explored.

Upstream product

• 1074-82-4 potassium phtalimide 
• 5389-87-7 1-chloro-3,7-dimethylocta-2,6-diene 
• 85-44-9 phthalic anhydride 
• 6246-48-6 geranylamine 

Downstream Products

• 6246-48-6 geranylamine 

Relevant academic research and scientific papers

Dirhodium(II)-Mediated Alkene Epoxidation with Iodine(III) Oxidants

Dirhodium(II) complexes and iodine(III) oxidants have found useful applications in synthetic nitrene chemistry. In this study, the combination of the dirhodium(II) complex Rh2(tpa)4 (tpa = triphenylacetate) with the iodine(III) oxidant PhI(OPiv)2 is shown to promote the epoxidation of alkenes in the presence of 2 equivalents of water. The reaction can be applied to diversely substituted alkenes and the corresponding epoxides are isolated with yields of up to 90 %. A possible mechanism involves the dirhodium(II) complex as a Lewis acid species that would tune the oxidizing character of the iodine(III) reagent.

Computer-aided rational design of novel EBF analogues with an aromatic ring

Odorant binding proteins (OBPs) are important in insect olfactory recognition. These proteins bind specifically to insect semiochemicals and induce their seeking, mating, and alarm behaviors. Molecular docking and molecular dynamics simulations were performed to provide computational insight into the interaction mode between AgamOBP7 and novel (E)-β-farnesene (EBF) analogues with an aromatic ring. The ligand-binding cavity in OBP7 was found to be mostly hydrophobic due to the presence of several nonpolar residues. The interactions between the EBF analogues and the hydrophobic residues in the binding cavity increased in strength as the distance between them decreased. The EBF analogues with an N-methyl formamide or ester linkage had higher docking scores than those with an amide linkage. Moreover, delocalized π–π and electrostatic interactions were found to contribute significantly to the binding between the ligand benzene ring and nearby protein residues. To design new compounds with higher activity, four EBF analogues D1–D4 with a benzene ring were synthesized and evaluated based on their docking scores and binding affinities. D2, which had an N-methyl formamide group linkage, exhibited stronger binding than D1, which had an amide linkage. D4 exhibited particularly strong binding due to multiple hydrophobic interactions with the protein. This study provides crucial foundations for designing novel EBF analogues based on the OBP structure. [Figure not available: see fulltext.]