Study on the solid–liquid equilibrium of bifenthrin in solvents

Zhang, Lei; Zuo, Yong; Liu, Huixin; Wang, Xunqiu

doi:10.1016/j.molliq.2020.113033

Cited by 12 publications

(4 citation statements)

References 25 publications

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“…The total ratio of the four parameters of 6-bromo-2-chloro-8-cyclopentyl-5-methylpyrido[2,3]pyrimidin-7(8 H )-one is 77.55%, so it is feasible to use these four parameters to explain the solubility of the selected solvent. The above analysis shows that the solubility of 6-bromo-2-chloro-8-cyclopentyl-5-methylpyrido[2,3]pyrimidin-7(8 H )-one in single solvents can be explained by the competition between solute–solvent interactions and solvent–solvent interactions …”

Section: Resultsmentioning

confidence: 95%

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Solid–Liquid Equilibrium and Thermodynamic Properties of 6-Bromo-2-chloro-8-cyclopentyl-5-methylpyrido[2,3]pyrimidin-7(8H)-one in 10 Pure Solvents and 3 Different Miscible Systems at T = (278.15–323.15) K

Yang

et al. 2021

J. Chem. Eng. Data

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6-Bromo-2-chloro-8-cyclopentyl-5-methylpyrido[2,3]pyrimidin-7(8H)-one is a key intermediate in the synthesis of Ibrance. We used high-performance liquid chromatography to analyze the solubility of 6-bromo-2-chloro-8-cyclopentyl-5-methylpyrido[2,3]pyrimidin-7(8H)-one in 10 single solvents [dichloromethane, n-hexane, ethyl acetate, n-butyl alcohol, tetrahydrofuran (THF), ethyl alcohol, isopropanol, 1-propanol, dimethylformamide, and isophorone] and 3 binary solvents (ethyl acetate + ethyl alcohol, isophorone + isopropanol, and THF + ethyl alcohol) at atmospheric pressure from 278.15 to 323.15 K. The results show that temperature and the solubility of 6-bromo-2-chloro-8-cyclopentyl-5-methylpyrido[2,3]pyrimidin-7(8H)-one in single solvents and binary solvents are positively correlated. The solubility in pure solvents is fitted by the modified Apelblat model and the Buchwski–Ksiazaczak λh model, and the solubility data in the binary solvent are correlated by the CNIBS/R–K model and the Jouyban–Acree model. The good agreement between the calculated value of the equation and the experimental result is shown by the results of equation fitting. By comparing the average value of relative average deviation and root-mean-square deviation of the equations, we can see that the modified Apelblat model has the best correlation effect in the single solution systems and the CNIBS/R–K model has the best correlation effect in the miscible systems. The KAT-LSER model is used to explain the competition between solute–solvent interactions and solvent–solvent interactions in pure solvents.

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Section: Resultsmentioning

confidence: 95%

“…The above analysis shows that the solubility of 6-bromo-2-chloro-8-cyclopentyl-5-methylpyrido-[2,3]pyrimidin-7(8H)-one in single solvents can be explained by the competition between solute−solvent interactions and solvent−solvent interactions. 16 4.6. Deviation.…”

Section: Experimental Methods Validationmentioning

confidence: 99%

Solid–Liquid Equilibrium and Thermodynamic Properties of 6-Bromo-2-chloro-8-cyclopentyl-5-methylpyrido[2,3]pyrimidin-7(8H)-one in 10 Pure Solvents and 3 Different Miscible Systems at T = (278.15–323.15) K

Yang

et al. 2021

J. Chem. Eng. Data

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“…⊗h equation. The ⊗h equation, first proposed by Buchowski et al, is an equation that specifically predicts the solubility of solids, and is expressed as 23,24 :…”

Section: Thermodynamic Modelsmentioning

confidence: 99%

“…The λh equation, first proposed by Buchowski et al , is an equation that specifically predicts the solubility of solids, and is expressed as 23,24 :

\ln [1 + \frac{λ (1 - x)}{x}] = λh (\frac{1}{T} - \frac{1}{T_{m}})

where

T

is the absolute temperature in K,

x

is the mole fraction of the solute,

λ

and

h

are the fitting parameters of the λh equation, respectively, and

T_{normalm}

is the melting temperature of the solute in K. In this paper, the differential scanning calorimeter (DSC) curve from 430 to 560 K was measured by weighing 8.55 mg blue fluorescent substance with N 2 protection (100 mL min −1 ) at a heating rate of 10 K min −1 17,24 . The DSC curve is shown in Fig.…”

Section: Experiments and Data Processingmentioning

confidence: 99%

Purification, characterization and study of blue fluorescent substance in caffeine

Yang,

Yue,

Zhou

et al. 2024

J of Chemical Tech & Biotech

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BACKGROUNDCaffeine, a xanthine alkaloid compound, is a stimulant of the central nervous system and is mainly used in the pharmaceutical and food industries. Because caffeine is directly absorbed into the body, Chinese pharmacopeia has high requirements on the quality of caffeine products, and fluorescence has always been an important indicator to measure the quality of caffeine. In this study, a major fluorescent impurity affecting the appearance and purity of caffeine products was isolated for the first time, and the solubility, thermodynamic properties and dissociation constants of this impurity were studied.RESULTS(i) The fluorescent impurity affecting the appearance and purity of the product was successfully isolated from crude caffeine and theophylline sodium salt, and named as a blue fluorescent substance. The mass purity of the substance was 96.27 %, and its structure was determined based on a comprehensive analysis of HRMS, and NMR (1H NMR, 13C NMR, COSY, NOESY, HSQC, HMBC). (ii) The solubility of blue fluorescent substance in four pure solvents was determined and the thermodynamic properties were calculated. (iii) The dissociation constants of the blue fluorescent substance in water at 298.15 K were determined by ultraviolet spectrophotometry.CONCLUSIONThe results provide a theoretical basis for the crystallization separation of the blue fluorescent substance during the industrial production of caffeine, as well as basic data for the green synthesis process of caffeine.This article is protected by copyright. All rights reserved.

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Ascorbic Acid Solubility and Thermodynamic Characteristics in Several Neat Solvents with Temperatures Ranging from 293 to 313 K

Nemdili¹,

Guedjali²,

Habchi³

et al. 2022

Int J Thermophys

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Study on the solid–liquid equilibrium of bifenthrin in solvents

Cited by 12 publications

References 25 publications

Solid–Liquid Equilibrium and Thermodynamic Properties of 6-Bromo-2-chloro-8-cyclopentyl-5-methylpyrido[2,3]pyrimidin-7(8H)-one in 10 Pure Solvents and 3 Different Miscible Systems at T = (278.15–323.15) K

Solid–Liquid Equilibrium and Thermodynamic Properties of 6-Bromo-2-chloro-8-cyclopentyl-5-methylpyrido[2,3]pyrimidin-7(8H)-one in 10 Pure Solvents and 3 Different Miscible Systems at T = (278.15–323.15) K

Purification, characterization and study of blue fluorescent substance in caffeine

Ascorbic Acid Solubility and Thermodynamic Characteristics in Several Neat Solvents with Temperatures Ranging from 293 to 313 K

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