(1S)-1,5-Anhydro-1-C-[4-chloro-3-[[4-[[(3S)-tetrahydro-3-furanyl]oxy]phenyl]methyl]phenyl]-D-glucitol tetraacetate
[CAS# 915095-99-7]

Identification

• Classification: Organic raw materials >> Carboxylic compounds and derivatives >> Carboxylic esters and their derivatives
• Name: (1S)-1,5-Anhydro-1-C-[4-chloro-3-[[4-[[(3S)-tetrahydro-3-furanyl]oxy]phenyl]methyl]phenyl]-D-glucitol tetraacetate
• Synonyms: [(2R,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]oxan-2-yl]methyl acetate
• Molecular Formula: C₃₁H₃₅ClO₁₁
• Molecular Weight: 619.06
• CAS Registry Number: 915095-99-7
• SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C2=CC(=C(C=C2)Cl)CC3=CC=C(C=C3)O[C@H]4CCOC4)OC(=O)C)OC(=O)C)OC(=O)C

Properties

• Solubility: Insoluble (9.3E^-4 g/L) (25 °C), Calc.^*
• Density: 1.33±0.1 g/cm³ (20 °C 760 Torr), Calc.^*
• Index of Refraction: 1.572, Calc.^*
• Boiling Point: 673.8±55.0 °C (760 mmHg), Calc.^*
• Flash Point: 192.1±30.5 °C, Calc.^*

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

Safety Data

• Hazard Symbols: GHS07;GHS08 Warning
• Risk Statements: H302
• Safety Statements: P264-P270-P301+P312-P330

Discovery and Applications

(1S)-1,5-Anhydro-1-C-[4-chloro-3-[[4-[[(3S)-tetrahydro-3-furanyl]oxy]phenyl]methyl]phenyl]-D-glucitol tetraacetate is a chemical substance with notable properties and applications in synthetic chemistry and medicinal research. This compound, often referred to by its full IUPAC name or its shorthand notation, features a complex structure that combines several functional groups, including an anhydroglucitol backbone, multiple phenyl rings, and a tetrahydrofuranyl group.

The discovery of this compound can be traced back to advances in carbohydrate chemistry and the design of complex glycosylation reactions. The introduction of an anhydroglucitol moiety provides the molecule with unique reactivity profiles, making it suitable for various synthetic applications. The strategic placement of the phenyl rings and chloro groups in the structure enhances its potential as a building block for more complex molecules.

One of the key applications of (1S)-1,5-Anhydro-1-C-[4-chloro-3-[[4-[[(3S)-tetrahydro-3-furanyl]oxy]phenyl]methyl]phenyl]-D-glucitol tetraacetate is in the synthesis of novel pharmaceutical compounds. The presence of the tetrahydrofuranyl group offers opportunities for creating derivatives with specific biological activities. This compound can be used as a precursor in the development of glycosylated drugs and as a tool in the study of carbohydrate-based drug design.

In addition to its role in pharmaceutical synthesis, (1S)-1,5-Anhydro-1-C-[4-chloro-3-[[4-[[(3S)-tetrahydro-3-furanyl]oxy]phenyl]methyl]phenyl]-D-glucitol tetraacetate has potential applications in material science. The unique structural features of this compound allow it to be incorporated into various polymer systems and materials, where it can influence the physical and chemical properties of the resulting products.

The chemical substance is also valuable in the field of medicinal chemistry for exploring new therapeutic agents. By modifying the phenyl and tetrahydrofuranyl groups, researchers can tailor the molecule for specific interactions with biological targets. This aspect of the compound opens avenues for developing drugs with enhanced efficacy and selectivity.

In summary, (1S)-1,5-Anhydro-1-C-[4-chloro-3-[[4-[[(3S)-tetrahydro-3-furanyl]oxy]phenyl]methyl]phenyl]-D-glucitol tetraacetate represents a significant advancement in synthetic and medicinal chemistry. Its complex structure and functional groups make it a versatile tool for creating new compounds with various applications in drug development and material science.

References

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