1-Benzyl-3-methylimidazolium dicyanamide, CAS: 958445-60-8

Key Applications:

1. Extraction and Separation Processes

• Used as a designer solvent for liquid–liquid extraction, especially for separating organic solutes with tunable polarity.
• Dicyanamide anions often enhance solubility for nitriles, aromatics, and polar organics, making this cation–anion pair suitable for selective separations.
• Applicable in metal ion extraction systems where low viscosity and high polarity improve mass transfer.

2. Thermodynamic and Activity‑Coefficient Studies

• Employed as a reference ionic liquid for measuring activity coefficients at infinite dilution, phase equilibria, and solvation behavior.
• The cited study by Durski et al. (2018) demonstrates the relevance of dicyanamide ILs in thermodynamic modeling and solvent‑solute interaction analysis.
• Useful for benchmarking solvation parameters in computational chemistry and COSMO‑RS workflows.

3. Reaction Media for Organic Synthesis

• The benzyl substituent increases aromatic character and can influence π–π interactions, making this IL suitable for reactions involving aromatic substrates.
• Dicyanamide anions can support catalytic cycles requiring moderate basicity or nucleophilicity.
• Potential medium for SN1/SN2 reactions, transition‑metal catalysis, and photochemical transformations.

4. Electrochemical and Conductive Applications

• Moderate viscosity (78.5 cP at 25 °C) and measurable conductivity (2.95 mS/cm at 30 °C) support use in electrochemical studies.
• Can serve as a solvent or co‑solvent in redox chemistry, electrodeposition research, and ionic‑liquid‑based electrolytes where aromatic cations are advantageous.

5. Materials Science and Polymer Processing

• Suitable as a plasticizer or processing aid for polymers requiring high‑polarity, low‑volatility solvents.
• Dicyanamide ILs are often explored in polyurethane chemistry, polymer dissolution, and controlled morphology development.
• The benzyl group may enhance compatibility with aromatic polymers or resins.

6. Solvation and Spectroscopic Studies

• Used to probe solute–solvent interactions, hydrogen‑bonding networks, and ion‑pairing behavior.
• The aromatic cation provides distinct spectroscopic signatures useful in NMR, IR, and solvatochromic analyses.

7. Potential Use in Pharmaceutical and Fine‑Chemical Processing

• As a tunable, non‑volatile solvent, it can support crystallization, purification, and formulation studies for small molecules.
• The dicyanamide anion’s coordination behavior can influence solubility and polymorph control.

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