The Role of Solvent Selection at Exploratory and Production Stages in the Pharmaceutical Industry

Nicponski, Daniel R.; Ramachandran, P. Veeraraghavan

doi:10.4155/fmc.11.123

Cited by 4 publications

(3 citation statements)

References 15 publications

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“…To meet these demands, solvent selection plays a vital role but is generally least considered by pharmaceutical chemists. An article by Nicponski and Ramachandran 17 on the role of solvent selection at different stages in pharmaceutical industry discusses the factors that are to be considered in solvent selection, such as cost, ease of recoverability, recyclability, inherent reactivity, environmental effects, etc., and their disposal effects in the current era, thus affirming the need for greener solvent design. Recently, Henderson et al 16 have highlighted the issues that one encounters in solvent selection and reported a database of solvents used in pharmaceuticals, along with their properties such as toxicity, vapor pressure, boiling point, melting point, flammability, environmental impact, waste, and recycling ability.…”

Section: ■ Introductionmentioning

confidence: 99%

“…To meet these demands, solvent selection plays a vital role but is generally least considered by pharmaceutical chemists. An article by Nicponski and Ramachandran on the role of solvent selection at different stages in pharmaceutical industry discusses the factors that are to be considered in solvent selection, such as cost, ease of recoverability, recyclability, inherent reactivity, environmental effects, etc., and their disposal effects in the current era, thus affirming the need for greener solvent design.…”

Section: Introductionmentioning

confidence: 99%

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A Review on Property Estimation Methods and Computational Schemes for Rational Solvent Design: A Focus on Pharmaceuticals

Harini

Adhikari

Rani

2013

Ind. Eng. Chem. Res.

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This paper provides a review of the available literature on computational schemes for rational solvent design, with a focus on solvent extraction and crystallization (the two most common unit operations) in pharmaceutical industry. The computer-aided design of solvents is important as a cost-effective tool, especially with the regular development of new pharmaceutical molecules. Also, there is a need to minimize the amount and the number of solvents used with regard to environmental, health, and toxicological concerns. This review covers the properties of interest and the predictive methods for estimation of these properties in solvent design including the group contribution based methods, quantitative structure property prediction methods and molecular modeling methods. In addition, the various optimization approaches for rational solvent design such as outer approximation, branch and bound, simulated annealing, and genetic algorithm are also discussed.

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Section: ■ Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

A Review on Property Estimation Methods and Computational Schemes for Rational Solvent Design: A Focus on Pharmaceuticals

Harini

Adhikari

Rani

2013

Ind. Eng. Chem. Res.

View full text Add to dashboard Cite

show abstract

“…6 In fact, the search for more sustainable solvents is a major task inside Green Chemistry, 31,32 and inside this area, the use of biosolvents is a growing tendency, especially in Pharma Industry. [33][34][35] As the model reaction, we selected the challenging substrate cinnamoyl chloride 1, in which the presence of a conjugated olefinic system renders it susceptible to the possible attack of the nucleophilic amine also at the b-position to the carbonyl moiety.…”

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confidence: 99%