(1R,3aR,7aR)-1-((R)-6-hydroxy-6-Methylheptan-2-yl)-7a-Methylhexahydro-1H-inden-4(2H)-one
[CAS# 70550-73-1]

Identification

• Classification: Organic raw materials >> Ketone compound
• Name: (1R,3aR,7aR)-1-((R)-6-hydroxy-6-Methylheptan-2-yl)-7a-Methylhexahydro-1H-inden-4(2H)-one
• Synonyms: Eldecalcitol Intermediate
• Molecular Formula: C₁₈H₃₂O₂
• Molecular Weight: 280.45
• CAS Registry Number: 70550-73-1
• SMILES: C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CCCC2=O)C

Properties

• Density: 1.0±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.495, Calc.^*
• Boiling Point: 384.5±15.0 ºC (760 mmHg), Calc.^*
• Flash Point: 164.2±13.0 ºC, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software.

Discovory and Applicatios

(1R,3aR,7aR)-1-((R)-6-hydroxy-6-Methylheptan-2-yl)-7a-Methylhexahydro-1H-inden-4(2H)-one is a complex organic compound that belongs to the class of indene derivatives. This compound is characterized by its intricate molecular structure, which includes a bicyclic structure and various functional groups, including a hydroxy and a methyl group. Its chemical structure makes it an interesting subject for research in the fields of organic chemistry and pharmacology due to its potential applications in synthetic chemistry and biological activity.

The discovery of this chemical substance is closely related to the exploration of indene and its derivatives, which have been studied for their diverse chemical reactivity and potential applications. The synthesis of indene derivatives often involves complex organic reactions, and the structure of (1R,3aR,7aR)-1-((R)-6-hydroxy-6-Methylheptan-2-yl)-7a-Methylhexahydro-1H-inden-4(2H)-one is an example of the versatility of indene chemistry. The specific configuration of this compound, including the stereochemistry at positions 1, 3a, and 7a, is essential to its reactivity and potential uses.

One of the key applications of (1R,3aR,7aR)-1-((R)-6-hydroxy-6-Methylheptan-2-yl)-7a-Methylhexahydro-1H-inden-4(2H)-one lies in its potential role as an intermediate in organic synthesis. The compound's complex structure makes it a valuable building block in the synthesis of more complex molecules, including those used in pharmaceuticals and fine chemicals. Its ability to participate in various chemical reactions, such as nucleophilic substitution or cyclization reactions, makes it useful in the development of new synthetic routes and the preparation of target compounds with specific properties.

The presence of the hydroxy and methyl groups in the molecule is also significant. Hydroxyl groups often play a crucial role in the reactivity of organic compounds, and the presence of the hydroxy group in this compound may contribute to its potential as a catalyst or reagent in chemical reactions. Additionally, the methyl group can influence the compound's solubility, stability, and reactivity, which are important factors in its use in industrial processes or chemical synthesis.

In terms of biological applications, indene derivatives like (1R,3aR,7aR)-1-((R)-6-hydroxy-6-Methylheptan-2-yl)-7a-Methylhexahydro-1H-inden-4(2H)-one have been studied for their potential pharmacological activity. Some indene derivatives are known to exhibit antimicrobial, anticancer, or anti-inflammatory properties, and research into this compound may reveal its potential therapeutic effects. The hydroxy group, in particular, can influence the interaction of the compound with biological targets, possibly affecting enzyme activity or receptor binding. As a result, this compound and similar indene derivatives have been investigated for their use in drug development.

Another potential application of (1R,3aR,7aR)-1-((R)-6-hydroxy-6-Methylheptan-2-yl)-7a-Methylhexahydro-1H-inden-4(2H)-one is in the area of materials science. The compound’s unique structure, which includes a bicyclic system and multiple functional groups, may enable it to participate in the formation of novel materials or polymers. The versatility of indene derivatives in forming new materials with specific properties, such as enhanced stability or conductivity, makes them valuable in the development of advanced materials for use in electronics, coatings, and other industrial applications.

The compound's stereochemistry is another important aspect of its potential applications. Stereoisomers can have significantly different properties, and the specific configuration of this compound may impact its reactivity, biological activity, and material properties. In organic synthesis, controlling stereochemistry is crucial for ensuring the desired outcomes in reactions, and this compound's stereochemical structure may be leveraged to produce molecules with specific properties or functions.

Despite its potential, (1R,3aR,7aR)-1-((R)-6-hydroxy-6-Methylheptan-2-yl)-7a-Methylhexahydro-1H-inden-4(2H)-one is not without challenges. The synthesis of such complex compounds often requires precise control over reaction conditions, and the compound may be sensitive to certain environmental factors. Additionally, the handling and storage of such compounds require careful consideration of their stability and reactivity to avoid unwanted side reactions or degradation.

In conclusion, (1R,3aR,7aR)-1-((R)-6-hydroxy-6-Methylheptan-2-yl)-7a-Methylhexahydro-1H-inden-4(2H)-one is a highly specialized compound with potential applications in organic synthesis, materials science, and pharmacology. Its unique structure and reactivity make it a valuable building block for the development of more complex molecules and materials. Further research into its properties and applications will likely continue to reveal its potential in various industrial and medicinal fields.