Design of an ionic liquid as a solvent for the extraction of a pharmaceutical intermediate

Harini, Madakashira; Jain, Swapnil; Adhikari, Jhumpa; Noronha, Santosh; Rani, K. Yamuna

doi:10.1016/j.seppur.2015.07.040

Cited by 20 publications

(13 citation statements)

References 30 publications

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“…[52,94,117] ILs showed themselves as good extractive agents for biomass dissolution [213] and as extractive agents for pharmaceutical purposes. [214] The commercially available, water miscible and easytoprepare chlorinebased ILs were presented in Figure 19. [215] Research showed that [bmim][Cl] and OcPyCl are the most suitable ILs among others (48 and 58 % of Ncompounds removal, respectively).…”

Section: Ionic Liquids Assisted Hydrodesulfurization (Hds)mentioning

confidence: 99%

Ionic liquids assisted desulfurization and denitrogenation of fuels

Zolotareva

Zazybin

Rafikova

et al. 2019

Vietnam Journal of Chemistry

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Section: Ionic Liquids Assisted Hydrodesulfurization (Hds)mentioning

confidence: 99%

Ionic liquids assisted desulfurization and denitrogenation of fuels

Zolotareva

Zazybin

Rafikova

et al. 2019

Vietnam Journal of Chemistry

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“…The candidate solvents selected or designed are to be subjected to screening experiments. Due to the practical importance of rational solvent selection and design, many researchers world‐wide have employed computer‐aided solvent selection and design tools for this purpose …”

Section: Introductionmentioning

confidence: 99%

“…The ephedrine molecule (Figure , CAS# 299‐42‐3) is the active pharmaceutical ingredient in cold and influenza medicines. In the industry a biotransformation process (at atmospheric pressure and ambient temperature) is employed to produce the precursor to ephedrine, namely, R‐phenylacetylcarbinol (R‐PAC) . R‐PAC is currently extracted from the aqueous broth using toluene, and after concentration, R‐PAC undergoes an in vitro conversion to ephedrine.…”

Section: Introductionmentioning

confidence: 99%

“…The task‐specific solvents are designed such that the estimated properties are better than the corresponding values for toluene (for ephedrine extraction), which is the currently employed solvent in industry for extraction of R‐PAC. Additionally, this method allows us to check for linear dependence of the solvent performance indicators for solvents with different functional groups . The rest of this paper is organized as follows: in the following section, the methodology adopted has been described in detail.…”

Section: Introductionmentioning

confidence: 99%

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Computer‐aided solvent selection and design for the efficient extraction of a pharmaceutical molecule

2019

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We have employed a computer-aided approach to select and design task-specific organic solvents for the liquid-liquid extraction of ephedrine from its aqueous solution. We have identified three solvent performance indicators (SPIs) as the shortlisting criteria for solvents with desirable properties: high ephedrine solubility; low solvent loss; and high partition coefficient. Other properties that were considered include octanol-water partition coefficient and toxicity, which give a measure of the safety/health/environmental (SHE) impacts, and liquid viscosity, which is an important process design parameter. We have first analyzed the trends in these SPIs for a range of common organic solvents. Toluene (currently employed for the extraction of R-phenylacetylcarbinol, the precursor to ephedrine) has low solvent loss but relatively poor values of the other SPIs for ephedrine extraction, though with a relatively benign SHE impact. We are unable to identify a solvent (from the list of common organic solvents) that satisfies all the shortlisting criteria for use in the pharmaceutical industry and this provided the motivation for the design of task-specific solvents. We have designed organic solvents (acyclic aliphatic, aromatic with one side chain attachment, and aromatic with two side chain attachments) with superior values of SPIs than the reference solvent, toluene. We have employed limiting values on the melting and boiling points to ensure the designed solvents are liquids at the operating conditions. Designed aliphatic compounds contain the chloro-group(s), whereas there are aromatic solvents without the chloro-groups with better SPIs than toluene. Designed solvents without chloro-groups may be considered as the starting point for further screening experiments.

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“…A number of predictive thermodynamic models are available for modeling the solubility of CO 2 in ILs . Among others, the universal quasichemical (UNIQUAC) functional‐group activity coefficients (UNIFAC) model for ILs constantly developed by our group (UNIFAC‐Lei model) has attracted wide attention, and it produces solid outcomes in various‐specific applications due to the unique advantages: (1) it provides quantitative accurate predictions; (2) its formulation is simple, and thus the calculation speed is rapid; (3) its parameters can be readily utilized in the modern simulation packages (e.g., Aspen Plus, PROII, and ChemCAD) for simulation and optimization of the desired industrial processes; and (4) in terms of the UNIFAC‐Lei preferable decomposition approach, the introduced main groups and subgroups together with their derived parameters are appropriate for the ILs‐based designing methodologies for specific applications . Thus, the UNIFAC‐Lei model has been extended in this work to predict the solubility of CO 2 in the proposed solvents.…”

Section: Introductionmentioning

confidence: 99%

CO₂ capture by methanol, ionic liquid, and their binary mixtures: Experiments, modeling, and process simulation

2018

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The CO 2 solubility data in the ionic liquid (IL) 1-allyl-3-methylimidazolium bis(trifluoromethyl sulfonyl)imide, methanol (MeOH), and their mixture with different combinations at temperatures of 313.2, 333.2, and 353.2 K and pressures up to 6.50 MPa were measured experimentally. New group binary interaction parameters of the predictive universal quasichemical functional-group activity coefficient (UNIFAC)-Lei model, which has been continually advanced by our group, were introduced by correlating the experimental data of this work and the literature. The consistency between experimental data and predicted results proves the reliability of UNIFAC-Lei model for CO 2 -IL-organic solvent systems. The newly obtained parameters were incorporated into the UNIFAC property model of Aspen Plus software to optimize a conceptual process developed for the purification of a CO 2 -containing gas stream. The simulation results indicate that the use of IL either mixed with MeOH or purely considerably lowers the process power consumption and improves the process performance in terms of CO 2 capture rate and solvent loss. ðx 1 Þ n 5Fðm 1 ; m 2 ; m 3 ; m 4 ; m 5 Þ (1) Figure 2. Flow sheet of the CO 2 capture processes developed in this work.Lines, predicted results by the UNIFAC-Lei model; scattered points, experimental data. ( ) pure [AMIM] 1 [Tf 2 N] 2 ; ( ) 80 wt % [AMIM] 1 [Tf 2 N] 2 1 20 wt % MeOH; ( ) 50 wt % [AMIM] 1 [Tf 2 N] 2 1 50 wt % MeOH; ( ) 20 wt % [AMIM] 1 [Tf 2 N] 2 1 80 wt % MeOH; ( ) pure MeOH. [Color figure can be viewed at wileyonlinelibrary.com]

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Design of an ionic liquid as a solvent for the extraction of a pharmaceutical intermediate

Cited by 20 publications

References 30 publications

Ionic liquids assisted desulfurization and denitrogenation of fuels

Ionic liquids assisted desulfurization and denitrogenation of fuels

Computer‐aided solvent selection and design for the efficient extraction of a pharmaceutical molecule

CO₂ capture by methanol, ionic liquid, and their binary mixtures: Experiments, modeling, and process simulation

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Design of an ionic liquid as a solvent for the extraction of a pharmaceutical intermediate

Cited by 20 publications

References 30 publications

Ionic liquids assisted desulfurization and denitrogenation of fuels

Ionic liquids assisted desulfurization and denitrogenation of fuels

Computer‐aided solvent selection and design for the efficient extraction of a pharmaceutical molecule

CO2 capture by methanol, ionic liquid, and their binary mixtures: Experiments, modeling, and process simulation

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Product

Resources

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CO₂ capture by methanol, ionic liquid, and their binary mixtures: Experiments, modeling, and process simulation