3-[(2R,5S)-5-(4-Fluorophenyl)-2-[(S)-[(4-fluorophenyl(amino)]][4-[trimethylsilyl]-oxy]phenyl]methyl]-1-oxo-5-[(trimethylsily)-oxy]pentyl]-4-phenyl-(4S)-2-oxazolidinone
[CAS# 272778-12-8]

Identification

• Classification: API >> Circulatory system medication >> Anti-atherosclerosis
• Name: 3-[(2R,5S)-5-(4-Fluorophenyl)-2-[(S)-[(4-fluorophenyl(amino)]][4-[trimethylsilyl]-oxy]phenyl]methyl]-1-oxo-5-[(trimethylsily)-oxy]pentyl]-4-phenyl-(4S)-2-oxazolidinone
• Synonyms: (4S)-3-[(2R,5S)-2-[(S)-(4-fluoroanilino)-(4-trimethylsilyloxyphenyl)methyl]-5-(4-fluorophenyl)-5-trimethylsilyloxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one
• Molecular Formula: C₃₉H₄₆F₂N₂O₅Si₂
• Molecular Weight: 716.96
• CAS Registry Number: 272778-12-8
• EC Number: 848-798-7
• SMILES: C[Si](C)(C)OC1=CC=C(C=C1)[C@H]([C@@H](CC[C@@H](C2=CC=C(C=C2)F)O[Si](C)(C)C)C(=O)N3[C@H](COC3=O)C4=CC=CC=C4)NC5=CC=C(C=C5)F

Properties

• Density: 1.2±0.1 g/cm³ Calc.^*
• Boiling point: 748.9±60.0 °C 760 mmHg (Calc.)^*
• Flash point: 406.7±32.9 °C (Calc.)^*
• Index of refraction: 1.566 (Calc.)^*

Safety Data

• Hazard Symbols: GHS07 Warning
• Risk Statements: H315-H319-H335-H413
• Safety Statements: P261-P264-P264+P265-P271-P273-P280-P302+P352-P304+P340-P305+P351+P338-P319-P321-P332+P317-P337+P317-P362+P364-P403+P233-P405-P501

Hazard Classification

Hazard	Class	Category Code	Hazard Statement
Chronic hazardous to the aquatic environment	Aquatic Chronic	4	H413

Discovery and Applications

The compound 3-[(2R,5S)-5-(4-Fluorophenyl)-2-[(S)-[(4-fluorophenyl(amino)]][4-[trimethylsilyl]-oxy]phenyl]methyl]-1-oxo-5-[(trimethylsily)-oxy]pentyl]-4-phenyl-(4S)-2-oxazolidinone is a complex organic molecule that features a combination of functional groups including oxazolidinone, phenyl, fluorophenyl, silyl, and amino derivatives. This structure indicates its potential use in specialized applications, particularly within the fields of organic synthesis, medicinal chemistry, or materials science.

The compound's primary structure consists of a central oxazolidinone ring system, which is a heterocyclic structure containing both oxygen and nitrogen atoms. Oxazolidinones are known for their stability and are often used in pharmaceutical research due to their ability to interact with biological systems. The stereochemistry of the compound, indicated by the (2R,5S) and (4S) labels, suggests that it possesses chirality, and this feature is important for its interactions with biological receptors or for its potential as a chiral building block in drug synthesis.

Fluorophenyl groups attached to the molecule could provide additional biological activity, as halogenated aromatic compounds are often used to enhance the stability or bioactivity of drugs. The trimethylsilyl (TMS) groups present in the molecule suggest that it may have specific applications in synthetic chemistry, as silyl groups are commonly used to protect sensitive functional groups or to modulate the reactivity of molecules in chemical reactions.

The molecule also contains a significant portion of a pentyl group attached to the oxazolidinone ring, which may influence the compound's solubility and lipophilicity. This structural feature suggests that the compound could have applications where lipophilicity and membrane permeability are important, such as in drug design, where the balance between water solubility and membrane permeability is a critical consideration.

While the precise applications of this particular molecule may be highly specialized, based on its structural complexity, it is plausible to suggest that it could be utilized in the development of pharmaceuticals, particularly in the design of molecules targeting specific receptors or enzymes. The combination of fluorine substituents and the presence of the oxazolidinone ring system could indicate its potential for interactions with biological systems, possibly as an inhibitor or modulator of a specific protein or enzyme. However, detailed experimental studies would be necessary to explore its bioactivity and confirm its potential therapeutic uses.

Given the complexity and the presence of multiple functional groups, the compound could also have applications in materials science, particularly in the creation of novel polymers or materials with specific electronic or mechanical properties. The presence of the trimethylsilyl groups, known for their ability to enhance stability and reactivity, could indicate that the molecule might be useful in synthetic applications involving controlled reactivity or the creation of advanced materials.

In summary, 3-[(2R,5S)-5-(4-Fluorophenyl)-2-[(S)-[(4-fluorophenyl(amino)]][4-[trimethylsilyl]-oxy]phenyl]methyl]-1-oxo-5-[(trimethylsily)-oxy]pentyl]-4-phenyl-(4S)-2-oxazolidinone is a highly specialized and structurally complex molecule with potential applications in medicinal chemistry and synthetic organic chemistry. Further studies would be needed to fully explore its biological and chemical properties, but its intricate design suggests possible uses in drug development and advanced material synthesis.

References

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