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tosylate of quinapril

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Identification
Molecular formula
C23H29NO8S
CAS number
81145-06-6
IUPAC name
[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] 4-methylbenzenesulfonate
State
State

At room temperature, this compound is usually found as a solid. It is commonly used in pharmaceutical contexts.

Melting point (Celsius)
130.00
Melting point (Kelvin)
403.00
Boiling point (Celsius)
338.00
Boiling point (Kelvin)
611.00
General information
Molecular weight
493.57g/mol
Molar mass
493.5740g/mol
Density
1.2400g/cm3
Appearence

The compound is typically a crystalline solid and can appear as a white to off-white powder. Due to the sulfonate functional groups, these compounds are often highly crystalline.

Comment on solubility

Solubility of [5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] 4-methylbenzenesulfonate

The solubility of this compound can be quite intriguing, owing to its unique structure and functional groups. Its solubility characteristics can be influenced by a variety of factors:

  • Polarity: The presence of polar groups such as dioxolanes and sulfonate can increase its interactions with polar solvents like water, enhancing solubility.
  • Hydrophobic regions: The bulky hydrophobic parts of the molecule may hinder solubility in polar solvents, suggesting a more favorable solubility in organic solvents.
  • Temperature: Solubility can also be temperature-dependent, with elevated temperatures often increasing solubility for many organic compounds.
  • pH Effect: The compound may exhibit different solubility profiles at varying pH levels due to potential ionization of functional groups.

For practical applications, one might find that this compound is moderately soluble in polar organic solvents, yet may pose challenges in pure aqueous solutions. Thus, understanding its solubility behavior is crucial for its effective use in various chemical processes.

In summary, while the interplay of multiple factors plays a vital role in determining its solubility, a comprehensive evaluation is essential for accurate predictions and applications in real-world situations.

Interesting facts

Interesting Facts about [5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] 4-methylbenzenesulfonate

This compound, known for its complex molecular structure, showcases the fascinating world of organic chemistry. Below are several intriguing aspects regarding this unique sulfonate compound:

  • Diverse Functional Groups: The presence of multiple functional groups such as dioxolane and dioxole contributes to its chemical reactivity and potential applications in various fields. These groups can impart different characteristics to the compound, making it a candidate for further study.
  • Potential Applications: Compounds similar to this one, often used in medicinal chemistry, may serve as intermediates in the synthesis of pharmaceutical products. Their unique structures can lead to novel therapeutic agents.
  • Structural Complexity: The intricate arrangement of carbon, oxygen, and sulfur atoms in this molecule exemplifies the complexity that chemists often encounter when exploring diverse organic compounds. This structural diversity can lead to unique physical and chemical properties.
  • Synthetic Pathways: Understanding the synthesis and reactions associated with this compound can illuminate reaction mechanisms and pathways in organic synthesis, essential for students and researchers alike.
  • The Interplay of Chemistry and Biology: Investigating the biological interactions of this compound can uncover potential bioactivity, making it relevant in drug development and biological research.

In summary, this intriguing sulfonate compound not only represents a beautiful example of chemical complexity but also opens the door to a plethora of research opportunities in synthetic organic chemistry and medicinal applications. Its study can inspire chemists to explore new innovations in the field.


Synonyms
13964-21-1
NSC14163
[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] 4-methylbenzenesulfonate
ALLOFURANOSE, DIISOPROPYLIDENE, P-TOLUENESULFONA
3253-75-6
alpha-D-Allofuranose, 1,2:5,6-bis-O-(1-methylethylidene)-, 3-(4-methylbenzenesulfonate)
a-D-Gulofuranose, 1,2:5,6-bis-O-(1-methylethylidene)-,4-methylbenzenesulfonate
19131-06-7
NSC-14163
CHEMBL1977817
AKOS024273759
NCI60_000916
ST001454
(2S,3R)-3-(2,2-dimethyl(1,3-dioxolan-4-yl))-7,7-dimethyl-4,6,8-trioxabicyclo[3 .3.0]oct-2-yl 4-methylbenzenesulfonate
3-(2,2-dimethyl-1,3-dioxolan-4-yl)-7,7-dimethyl-4-(4-methylphenyl)sulfonyloxy-2,6,8-trioxabicyclo[3.3.0]octane
5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyltetrahydrofuro[3,2-d][1,3]dioxol-6-yl 4-methylbenzenesulfonate