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Compound CAS No. 279246-65-0: (trans,trans)-4-((E)-Prop-1-en-1-yl)-4'-propyl-1,1'-bi(cyclohexane)

The compound with CAS No. 279246-65-0, commonly referred to as (trans,trans)-4-((E)-Prop-1-en-1-yl)-4'-propyl-1,1'-bi(cyclohexane), is a bicyclic compound with a unique structural configuration. This molecule consists of two cyclohexane rings connected by a single bond at the 1-position of each ring. The trans configuration at both the 4 and 4' positions introduces steric hindrance and influences the overall conformation of the molecule. The presence of an (E)-propenyl group at the 4-position and a propyl group at the 4' position adds complexity to its structure, making it an interesting subject for both theoretical and experimental studies.

Recent advancements in computational chemistry have allowed researchers to delve deeper into the electronic structure and reactivity of this compound. For instance, studies utilizing density functional theory (DFT) have revealed that the (E)-propenyl group introduces conjugation effects that stabilize certain transition states during chemical reactions. This insight is particularly valuable for understanding its potential applications in polymer synthesis and drug design.

The synthesis of (trans,trans)-4-((E)-Prop-1-en-1-yl)-4'-propyl-1,1'-bi(cyclohexane) involves a multi-step process that typically begins with the preparation of cyclohexene derivatives. The key steps include alkylation reactions to introduce the propenyl and propyl substituents, followed by stereochemical control during cyclization. Researchers have explored various catalysts and reaction conditions to optimize yield and stereochemical purity, with particular emphasis on transition metal-catalyzed methods.

In terms of applications, this compound has shown promise in the field of materials science. Its rigid bicyclic structure makes it an ideal candidate for use as a monomer in advanced polymer systems. For example, recent studies have demonstrated its ability to form high-strength thermoplastics with excellent thermal stability. Additionally, its unique electronic properties make it a potential candidate for use in organic electronics, such as semiconducting materials for thin-film transistors.

Another area of interest is its potential role in drug discovery. The trans configuration and conjugated propenyl group provide opportunities for bioisosteric replacements in medicinal chemistry. Researchers are currently investigating its ability to act as a scaffold for small-molecule inhibitors targeting specific protein-protein interactions. Early results suggest that this compound could serve as a lead structure for developing novel therapeutic agents.

The environmental impact of this compound has also been a topic of recent research. Studies focusing on its biodegradation pathways have revealed that under aerobic conditions, it undergoes oxidative cleavage of the double bond in the propenyl group, leading to the formation of less complex intermediates. This information is crucial for assessing its safety profile and ensuring sustainable practices in its production and disposal.

In conclusion, CAS No. 279246-65-0, or (trans,trans)-4-((E)-Prop-1-en-1-yl)-4'-propyl-1,1'-bi(cyclohexane), represents a fascinating intersection of organic chemistry and materials science. Its complex structure offers numerous opportunities for innovation across various industries while posing challenges in terms of synthesis and characterization. As research continues to uncover its full potential, this compound is likely to play an increasingly important role in both academic and industrial settings.

• 16538-48-0(Cyclohexane, (1E)-1-hexenyl-)
• 920275-05-4(TRANS,TRANS-4''-ETHYL-4-PROPENYL-BICYCLOHEXYL)
• 5070-90-6(Cyclohexane, 1,1'-(1,2-ethenediyl)bis-, (E)-)
• 156139-85-4(1,1'-Bicyclohexyl,4-pentyl-4'-(1E)-1-propen-1-yl-, (trans,trans)-)
• 37490-34-9(Cyclohexane, 1-propenyl-, (Z)-)
• 40319-81-1(Bicyclo[3.2.2]non-2-ene)
• 62444-54-6(Cyclohexane, 1-octenyl-, (Z)-)
• 58372-36-4(Cyclohexane, 1,1'-(1,2-ethenediyl)bis-)
• 694510-10-6(TRANS,TRANS-4''-BUTYL-4-PROPENYL-BICYCLOHEXYL)
• 5364-83-0(1-propen-1-ylcyclohexane)