3-Fluoro-5-((7-(methylsulfonyl)-1-oxo-2,3-dihydro-1H-inden-4-yl)oxy)benzonitrile
[CAS# 1672665-55-2]

Identification

• Classification: Organic raw materials >> Organic fluorine compound >> Fluorobenzonitrile series
• Name: 3-Fluoro-5-((7-(methylsulfonyl)-1-oxo-2,3-dihydro-1H-inden-4-yl)oxy)benzonitrile
• Molecular Formula: C₁₇H₁₂FNO₄S
• Molecular Weight: 345.34
• CAS Registry Number: 1672665-55-2
• EC Number: 875-702-0
• SMILES: CS(=O)(=O)C1=C2C(=C(C=C1)OC3=CC(=CC(=C3)C#N)F)CCC2=O

Properties

• Density: 1.5±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.636, Calc.^*
• Boiling Point: 550.0±50.0 ºC (760 mmHg), Calc.^*
• Flash Point: 286.4±30.1 ºC, Calc.^*

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

Safety Data

• Hazard Symbols: GHS07 Warning
• Hazard Statements: H302-H315-H319
• Precautionary Statements: P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330

Discovory and Applicatios

3-Fluoro-5-((7-(methylsulfonyl)-1-oxo-2,3-dihydro-1H-inden-4-yl)oxy)benzonitrile is an important synthetic compound with significant applications in medicinal chemistry. The discovery of this molecule stemmed from efforts to develop selective inhibitors for various kinases involved in cancer and inflammatory diseases. Its structure, featuring a fluoro-benzonitrile moiety linked to a methylsulfonyl indanone, enhances binding specificity and metabolic stability.

The synthesis of 3-fluoro-5-((7-(methylsulfonyl)-1-oxo-2,3-dihydro-1H-inden-4-yl)oxy)benzonitrile involves multi-step procedures, including nucleophilic aromatic substitution and sulfonylation reactions. The strategic introduction of the fluoro and benzonitrile groups provides the molecule with high electrophilicity, improving its interaction with target proteins. These synthetic steps ensure the production of high-purity compounds necessary for pharmaceutical applications.

This compound is widely studied as a lead candidate in the design of kinase inhibitors for the treatment of cancers and autoimmune conditions. Its role in modulating cellular signaling pathways has shown potential for reducing tumor growth and inflammatory responses. The chemical stability and bioavailability of 3-fluoro-5-((7-(methylsulfonyl)-1-oxo-2,3-dihydro-1H-inden-4-yl)oxy)benzonitrile make it an attractive candidate for further drug development.

Ongoing research focuses on optimizing the pharmacokinetic properties of this molecule to enhance its therapeutic efficacy. The exploration of derivatives and analogs continues to expand the potential applications of this compound in various areas of medical research.