1,2,3,4,5,6-hexakis-O-(2-cyanoethyl)hexitol
[CAS# 2465-92-1]

Identification

• Classification: Organic raw materials >> Nitrile compound
• Name: 1,2,3,4,5,6-hexakis-O-(2-cyanoethyl)hexitol
• Synonyms: 3-[2,3,4,5,6-pentakis(2-cyanoethoxy)hexoxy]propanenitrile
• Molecular Formula: C₂₄H₃₂N₆O₆
• Molecular Weight: 500.55
• CAS Registry Number: 2465-92-1
• EC Number: 219-571-4
• SMILES: C(COCC(C(C(C(COCCC#N)OCCC#N)OCCC#N)OCCC#N)OCCC#N)C#N

Properties

• Density: 1.2±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.491, Calc.^*
• Boiling Point: 792.2±60.0 ºC (760 mmHg), Calc.^*
• Flash Point: 275.4±25.7 ºC, Calc.^*

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

Discovory and Applicatios

1,2,3,4,5,6-hexakis-O-(2-cyanoethyl)hexitol is a complex organic compound that belongs to the category of cyanoethylated polyols. This compound features a hexitol backbone, a sugar-like structure, with six hydroxyl groups that have been modified by the attachment of 2-cyanoethyl groups. The chemical structure of 1,2,3,4,5,6-hexakis-O-(2-cyanoethyl)hexitol is noteworthy for its potential in various fields due to the presence of both functional cyano groups and the polyol structure, which offers versatility in chemical reactivity and biological activity.

The discovery of 1,2,3,4,5,6-hexakis-O-(2-cyanoethyl)hexitol likely stems from ongoing research into modifying sugar derivatives to enhance their properties for applications in materials science, pharmaceuticals, and industrial chemistry. The 2-cyanoethylation of hexitol provides a method of functionalizing polyols, making them more reactive and capable of forming more complex structures through further chemical transformations. The process of cyanoethylation is widely recognized for its ability to introduce a versatile and reactive functional group, the cyano group, which can participate in a variety of chemical reactions, such as nucleophilic substitution, addition to electrophiles, and coordination with metal ions.

Applications of 1,2,3,4,5,6-hexakis-O-(2-cyanoethyl)hexitol span a variety of fields, including material science, medicine, and synthetic chemistry. In material science, the compound can be used as a building block for the synthesis of polyfunctional materials. The cyanoethyl groups introduced to the hexitol framework offer sites for further modification, allowing the creation of polymers, coatings, and other functional materials. These materials may have applications in fields such as adhesives, coatings, and packaging, where specific interactions with environmental factors are needed.

In pharmaceutical applications, 1,2,3,4,5,6-hexakis-O-(2-cyanoethyl)hexitol and its derivatives have been explored for their potential as drug delivery systems. The cyanoethyl groups can enhance the compound's ability to interact with biological molecules or tissues, enabling the development of targeted drug delivery systems. These systems could be designed to release therapeutic agents in a controlled manner, improving the efficacy and reducing the side effects of treatments. Additionally, the presence of hydroxyl groups in the hexitol backbone could make the compound a candidate for developing biologically active molecules, particularly for use in therapies that require precise molecular interactions.

The compound has also attracted attention in the field of green chemistry. The cyanoethylation of polyols like hexitol is a method that may allow the development of sustainable, environmentally friendly alternatives to traditional chemical processes. By using renewable raw materials such as sugars and modifying them in specific ways, it is possible to design chemicals and materials that have minimal environmental impact, addressing concerns over the sustainability of current industrial practices.

In synthetic chemistry, 1,2,3,4,5,6-hexakis-O-(2-cyanoethyl)hexitol can serve as an important intermediate in the synthesis of more complex molecules. Its versatility allows it to be used in the preparation of a wide range of compounds with diverse functionalities. Through further chemical reactions, the compound can be transformed into various derivatives that find applications in catalysis, polymer chemistry, and other specialized areas.

As research continues into the properties and applications of 1,2,3,4,5,6-hexakis-O-(2-cyanoethyl)hexitol, it is expected that its use will expand across multiple industries. The compound's unique structure, with both hydroxyl and cyanoethyl groups, ensures its relevance in the development of new materials, pharmaceuticals, and sustainable chemical processes.