Description

1,2,3,4,5,6-Hexakis-O-(2-cyanoethyl)hexitol (CAS No. 2465-92-1) is a highly specialized organic compound with the molecular formula C₂₄H₃₂N₆O₆. This derivative of hexitol is fully substituted with 2-cyanoethyl groups, resulting in a unique polyfunctional nitrile structure. The IUPAC name, 3-[2,3,4,5,6-pentakis(2-cyanoethoxy)hexoxy]propanenitrile, reflects its precise chemical architecture. With a molecular weight of 500.55 g/mol, this compound is typically supplied as a white to off-white crystalline powder or solid, exhibiting high purity (>95%) as confirmed by HPLC analysis. Its multi-cyanoethylated structure makes it valuable for applications requiring polar, electron-withdrawing functionalities. The compound is stable under ambient conditions but should be stored in a cool, dry place away from strong oxidizing agents. Available in research quantities from milligrams to kilograms, it is packaged under inert gas in amber glass vials or sealed plastic containers to ensure stability.

Properties

• CAS Number: 2465-92-1
• Complexity: 814
• IUPAC Name: 3-[2,3,4,5,6-pentakis(2-cyanoethoxy)hexoxy]propanenitrile
• InChI: InChI=1S/C24H32N6O6/c25-7-1-13-31-19-21(33-15-3-9-27)23(35-17-5-11-29)24(36-18-6-12-30)22(34-16-4-10-28)20-32-14-2-8-26/h21-24H,1-6,13-20H2
• InChI Key: SIPCQLNTTKBLSF-UHFFFAOYSA-N
• Exact Mass: 500.23833276
• Molecular Formula: C24H32N6O6
• Molecular Weight: 500.5
• SMILES: C(COCC(C(C(C(COCCC#N)OCCC#N)OCCC#N)OCCC#N)OCCC#N)C#N
• Topological: 198
• Monoisotopic Mass: 500.23833276
• Synonyms: 1,2,3,4,5,6-Hexakis-O-(2-cyanoethyl)hexitol, 2465-92-1, EINECS 219-571-4, NSC 89770, DTXSID50947592, Hexitol, 1,2,3,4,5,6-hexakis-O-(2-cyanoethyl)-, DTXCID501375849, 219-571-4, NSC89770, 1,2,3,4,5,6-Hexakis(2-cyanoethoxy)hexane, SCHEMBL3433549, NSC-89770, AKOS024429072, NS00046155, 1,2,3,4,5,6-Hexakis-O-(2-cyanoethyl)hexitol #, 1,2,3,4,5,6-HEXAKIS-(2-CYANOETHOXY)HEXANE, 1,2,3,4,5,6-Hexakis-O-(2-cyanoethyl)-d-glucitol

Application

This multi-cyanoethylated hexitol derivative finds utility as a versatile intermediate in organic synthesis, particularly for constructing dendrimers and hyperbranched polymers. Its electron-withdrawing cyanoethyl groups make it suitable for modifying carbohydrate-based materials to enhance solubility in polar aprotic solvents. Researchers have explored its use in designing novel liquid crystals and nonlinear optical materials due to its rigid yet functionalized core. The compound’s multiple reactive sites also enable its application as a crosslinking agent in specialty polymer formulations.

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