Equilibrium Solubility Determination and Dissolution Property Analysis of 5,6-Dimethoxy-1-indanone in 15 Pure Solvents from 283.15 to 323.15 K

Li, Jiahui; Yao, Menghui; Kang, Xiang; Yu, Changyou; Liu, Yanbo; Yan, Hui; Yin, Hongxi; Chen, Mingyang

doi:10.1021/acs.jced.1c00040

Cited by 11 publications

(3 citation statements)

References 31 publications

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“…14−16 brium data of materials (e.g., the solubility data in various solvents) are considered as crucial basic data for screening potential crystal forms or designing the crystallization process. 14,17 In this way, there is a strong need and great significance to determine the solubility behavior of a compound in different solvents. However, there is no research about the solubility data of Glu-Me in previous studies.…”

Section: Introductionmentioning

confidence: 99%

“…As is well known, solution crystallization is usually a crucial approach for separation and purification in chemical industrial processes, which determines the yield and quality of the final product. It requires solubility data to achieve low energy consumption and high yield. − Solid–liquid phase equilibrium data of materials (e.g., the solubility data in various solvents) are considered as crucial basic data for screening potential crystal forms or designing the crystallization process. , In this way, there is a strong need and great significance to determine the solubility behavior of a compound in different solvents. However, there is no research about the solubility data of Glu-Me in previous studies.…”

Section: Introductionmentioning

confidence: 99%

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Solubility and Hansen Solubility Parameters of l-Glutamic Acid 5-Methyl Ester in 12 Organic Solvents from 283.15 to 323.15 K

Qiu

Huang

et al. 2021

J. Chem. Eng. Data

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In this study, the quantitative mole fraction solubility of L-glutamic acid 5-methyl ester in 12 individual organic solvents (water, methanol, ethanol, 1propanol, 2-propanol, acetone, 2-butanone, acetonitrile, 1,4-dioxane, ethyl acetate, nhexane, and dichloromethane) were reported. The solubility determinations were performed via the gravimetric method in the temperature range of T = 283.15− 323.15 K, except for dichloromethane at T = 283.15−308.15 K. The powder X-ray diffraction test was used to research the polymorphism of L-glutamic acid 5-methyl ester, and the consequence shows that there is no crystal transformation in the process of solubility measurement; besides, it is found that the mole fraction solubility of L-glutamic acid 5-methyl ester is positively correlated with the experimental temperature in the tested solvents. The measured data are observed the highest in water (0.042569), followed by methanol (0.001379), 1,4-dioxane (0.000331), acetone (0.000221), ethanol (0.000212), ethyl acetate (0.000145), 2propanol (0.000144), n-hexane (0.000132), 1-propanol (0.000116), 2-butanone (0.000107), acetonitrile (0.000034), and dichloromethane (0.000024) at "T = 298.15 K". Different properties of the chemicals, including solvent polarity, hydrogen bond, molecular structure, and Hansen solubility parameters, were summarized to analyze the solubility behavior of L-glutamic acid 5methyl ester in the investigated neat solvents. The results show that the mole fraction solubility of L-glutamic acid 5-methyl ester in the selected solvents is a complicated phenomenon affected by multiple factors. Two thermodynamic models, which are the modified Apelblat model and the Yaws model, were employed to correlate the experimental solubility, and the fitting results of the two models were both well. Moreover, the AIC values and the Akaike weights of the two models were computed to assess the fitting level.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Solubility and Hansen Solubility Parameters of l-Glutamic Acid 5-Methyl Ester in 12 Organic Solvents from 283.15 to 323.15 K

Qiu

Huang

et al. 2021

J. Chem. Eng. Data

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“…The mole fraction of solute ciprofibrate was obtained in accordance with isothermal dissolution equilibrium so that the data was acquired under saturated solution. − The jacketed flask was used for the entire dissolution process and provided a place for the solute ciprofibrate to reach saturation with the solvent. A slight excess of the solute and the previously prepared mixed solvent (60 mL) were poured into the container together, and then a rubber stopper was added.…”

Section: Methodsmentioning

confidence: 99%

Study on Ciprofibrate Equilibrium Solubility and Thermodynamic Correlation in Four Aqueous Cosolvency Mixtures at Saturation

Zhang

2021

J. Chem. Eng. Data

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Drug solubility in the evaluated solvent systems plays an important role in the selection of lead substances in the pre-period of pharmaceutical development and discovery. This work involved five pure solvents as raw materials and formed four sets of mixed solvents according to their pairs by mixing ethylene glycol (EG), ethanol, n-propanol, and N,N-dimethyl formamide (DMF) in water. Taking 278.15 K as the starting temperature and referring to the principle of the isothermal static state, the temperature is gradually increased at 5 K intervals until it reaches 323.15 K. Under normal pressure (101.1 kPa), when the mole fraction of the solute did not change, the value obtained by HPLC was the equilibrium solubility of ciprofibrate. The obtained ciprofibrate solubility values were described mathematically by the Jouyban–Acree model, Van’t Hoff–Jouyban–Acree model, and modified Apelblat–Jouyban–Acree model, and the maximums of RAD and rmsd obtained from the three cosolvency models were 1.43 × 10–2 and 8.15 × 10–4, respectively. The solubility order circumstances of ciprofibrate at the temperature range of 278.15–323.15 K were as follows: water (2.653 × 10–6 at 323.15 K) < EG (8.227 × 10–2 at 323.15 K) < n-propanol (0.1693 at 323.15 K) < ethanol (0.3123 at 323.15 K) < DMF (0.4075 at 323.15 K). From the point of view of temperature, the influence on the solute cannot be ignored. The amount of ciprofibrate dissolved from a low value to a high value with the temperature from low to high. In addition, the difference was that the water content of the mixed solvent was repulsive to the dissolution of the solute. When the water content increased from low to high, the mole fraction of ciprofibrate decreased from high to low. The obtained model parameters gave the best description of the ciprofibrate solubility behaviors, and the Jouyban–Acree model could be fitted with good results. All of the achieved values of ciprofibrate in this study provide useful information for the purification and recrystallization processes in pharmaceutical sciences.

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Model-based design for water-soluble crystals with anti-caking function by the feedback between caking prediction and crystallization control

Guo

Liu

et al. 2023

Chemical Engineering Science

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Equilibrium Solubility Determination and Dissolution Property Analysis of 5,6-Dimethoxy-1-indanone in 15 Pure Solvents from 283.15 to 323.15 K

Cited by 11 publications

References 31 publications

Solubility and Hansen Solubility Parameters of l-Glutamic Acid 5-Methyl Ester in 12 Organic Solvents from 283.15 to 323.15 K

Solubility and Hansen Solubility Parameters of l-Glutamic Acid 5-Methyl Ester in 12 Organic Solvents from 283.15 to 323.15 K

Study on Ciprofibrate Equilibrium Solubility and Thermodynamic Correlation in Four Aqueous Cosolvency Mixtures at Saturation

Model-based design for water-soluble crystals with anti-caking function by the feedback between caking prediction and crystallization control

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