(εR,1R,3aR,4S,7aR)-Octahydro-4-hydroxy-α,α,ε,7a-tetramethyl-1H-indene-1-pentanol
[CAS# 66774-84-3]

Identification

• Classification: Pharmaceutical intermediate >> Heterocyclic compound intermediate >> Pyrimidine compound >> Alcohol
• Name: (εR,1R,3aR,4S,7aR)-Octahydro-4-hydroxy-α,α,ε,7a-tetramethyl-1H-indene-1-pentanol
• Synonyms: des-A,B-cholestane-8β,25-diol; (1R,3aR,4S,7aR)-1-((R)-6-Hydroxy-6-methylheptan-2-yl)-7a-methyloctahydro-1H-inden-4-ol;Eldecalcitol Intermediate
• Molecular Formula: C₁₈H₃₄O₂
• Molecular Weight: 282.46
• CAS Registry Number: 66774-84-3
• SMILES: CC(CCCC(C)(C)O)C1CCC2[C@@]1(CCCC2O)C

Properties

• Density: 1.0±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.504, Calc.^*
• Boiling Point: 347.4±10.0 ºC (760 mmHg), Calc.^*
• Flash Point: 145.3±13.6 ºC, Calc.^*

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

Safety Data

• Hazard Symbols: GHS07 Warning
• Hazard Statements: H315-H319-H335
• Precautionary Statements: P261-P305+351+338-P302+352

Discovory and Applicatios

The chemical compound (εR,1R,3aR,4S,7aR)-Octahydro-4-hydroxy-α,α,ε,7a-tetramethyl-1H-indene-1-pentanol is a complex organic molecule with a unique structure and notable potential in various applications. This compound, characterized by its intricate stereochemistry, is part of a broader class of organic molecules that contain bicyclic and polycyclic structures. It features a combination of hydroxyl and alkyl groups attached to an indene ring system, which contributes to its chemical reactivity and versatility.

The discovery of this compound is likely tied to the ongoing search for molecules that exhibit both structural complexity and functional utility. Such molecules are often synthesized as intermediates for the development of specialty chemicals, including fragrances, pharmaceuticals, and agrochemicals. Its structural features—particularly the tetramethyl group and the hydroxyl group—provide valuable insight into its reactivity and potential applications.

One of the primary areas where (εR,1R,3aR,4S,7aR)-Octahydro-4-hydroxy-α,α,ε,7a-tetramethyl-1H-indene-1-pentanol is applied is in the fragrance industry. The molecule’s indene ring structure and the presence of both hydroxyl and alkyl substituents make it a candidate for the synthesis of complex scent compounds. These compounds are often used in perfumes and air fresheners, where they contribute to the desired aromatic profile. The specific stereochemistry of the molecule enhances its interactions with olfactory receptors, making it a potential ingredient in formulations that require specific scent characteristics.

In addition to its use in fragrances, this compound could have applications in the pharmaceutical industry. The presence of a hydroxyl group makes it a potential candidate for further chemical modifications, allowing for the creation of bioactive molecules with enhanced pharmacological properties. Such modifications could include the introduction of other functional groups or the incorporation of the molecule into larger, more complex structures. Its potential in drug discovery lies in its ability to act as a scaffold for the design of molecules that target specific biological pathways.

The compound may also find use in materials science. Its unique structure, which includes a bicyclic indene unit, makes it a valuable starting point for the synthesis of polymers or other advanced materials. These materials can possess desirable properties such as improved chemical stability, resistance to degradation, and tailored mechanical characteristics. The combination of its molecular rigidity and functional groups could lead to materials that are effective in demanding environments, such as those requiring resistance to heat, chemicals, or abrasion.

Furthermore, (εR,1R,3aR,4S,7aR)-Octahydro-4-hydroxy-α,α,ε,7a-tetramethyl-1H-indene-1-pentanol could be used as a synthetic intermediate in the production of various chemical compounds. In particular, the molecule’s functional groups could serve as reactive sites for additional reactions, enabling the formation of a wide range of derivatives. This versatility is an asset in synthetic chemistry, where the ability to modify a molecule’s structure can lead to the development of compounds with diverse applications.

Given its structural complexity and the presence of functional groups such as the hydroxyl and alkyl substituents, this compound also holds potential in the field of catalysis. Its ability to participate in chemical reactions through its functional sites could make it useful in catalytic processes, where it could be employed to accelerate specific reactions. Such applications are important in industries like petrochemicals, environmental chemistry, and green chemistry, where efficient and selective reactions are sought.

Despite its promising applications, the use of (εR,1R,3aR,4S,7aR)-Octahydro-4-hydroxy-α,α,ε,7a-tetramethyl-1H-indene-1-pentanol must be conducted with care. Like many organic compounds, it may present hazards under certain conditions, particularly in concentrated forms or when exposed to reactive environments. It is essential to follow safety guidelines when handling this compound in industrial, laboratory, or commercial settings to ensure safe and effective use.

In conclusion, (εR,1R,3aR,4S,7aR)-Octahydro-4-hydroxy-α,α,ε,7a-tetramethyl-1H-indene-1-pentanol is a compound with unique structural features and versatile applications in various industries. Its role in fragrance production, pharmaceuticals, materials science, and chemical synthesis highlights its importance as a functional building block in the development of complex molecules. Continued research into its properties and applications will likely lead to further innovations in these fields.