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Diquafosol

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Identification
Molecular formula
C12H28Cl2N2O16P2S2
CAS number
211427-08-6
IUPAC name
4-methylbenzenesulfonate;1-methyl-4-[10-(1-methylpyridin-1-ium-4-yl)sulfanyldecylsulfanyl]pyridin-1-ium
State
State

At room temperature, Diquafosol is generally in a solid state.

Melting point (Celsius)
245.00
Melting point (Kelvin)
518.15
Boiling point (Celsius)
680.00
Boiling point (Kelvin)
953.15
General information
Molecular weight
711.83g/mol
Molar mass
711.8300g/mol
Density
1.5602g/cm3
Appearence

Diquafosol is typically found as a white to off-white crystalline powder. It is hygroscopic, meaning it can absorb moisture from the air.

Comment on solubility

Solubility of 4-methylbenzenesulfonate; 1-methyl-4-[10-(1-methylpyridin-1-ium-4-yl)sulfanyldecylsulfanyl]pyridin-1-ium

The solubility characteristics of the compound 4-methylbenzenesulfonate; 1-methyl-4-[10-(1-methylpyridin-1-ium-4-yl)sulfanyldecylsulfanyl]pyridin-1-ium can be quite intriguing due to its unique structural features.

Solubility in Water

This compound exhibits moderate to high solubility in water, which can be attributed to the presence of the pyridinium group. The positively charged nitrogen in the pyridinium ring enhances its interaction with polar water molecules, facilitating dissolution.

Solubility in Organic Solvents

In addition to its solubility in water, the compound is also expected to be soluble in various organic solvents such as:

  • Dimethyl sulfoxide (DMSO)
  • Ethanol
  • Acetonitrile

The presence of non-polar hydrocarbon chains in the structure contributes to its compatibility with organic solvents.

Factors Influencing Solubility

There are several factors that can influence the solubility of this complex compound:

  • Temperature: Higher temperatures generally increase solubility.
  • pH levels: The solubility may vary with the pH of the solution, particularly because of the presence of the sulfonate group.
  • Interactions: Hydrogen bonding and ionic interactions with solvent molecules are crucial in determining solubility.

Overall, the solubility of this compound showcases a balance between hydrophilic and hydrophobic characteristics, making it an interesting subject for further exploration in chemical research.

Interesting facts

Interesting Facts About 4-Methylbenzenesulfonate

The compound 4-methylbenzenesulfonate, also known as p-toluenesulfonate, is a fascinating molecule with several unique properties and applications that capture the interest of chemists and students alike.

Key Features and Applications

  • Versatile Intermediate: This compound serves as a crucial intermediate in organic synthesis. Its sulfonate group is an excellent leaving group, making it highly valuable for various substitution reactions.
  • Pharmaceutical Importance: Due to its chemical structure, 4-methylbenzenesulfonate is often employed in the synthesis of pharmaceuticals and agrochemicals, showcasing its versatility in the industry.
  • Functional Group Transformation: Chemists appreciate the ability to transform the sulfonate into other reactive species, which can lead to the development of more complex molecular frameworks.

Chemical Properties & Characteristics

This compound exhibits remarkable stability and can participate in electrophilic aromatic substitution reactions due to the directing effects of the methyl and sulfonate groups. The sulfonic acid functional group enhances its solubility in various solvents, making it a key player in nucleophilic substitution reactions. In the world of organic chemistry, it is known for its role in the preparation of alkyl sulfates, which are surfactants widely used in the formulation of personal care products.

Quotes from Chemists

As one chemist famously put it: "The beauty of 4-methylbenzenesulfonate lies in its ability to simplify the synthesis of complex molecules while adding valuable functional groups." This makes it a staple in the toolkit of organic chemists.

Did You Know?

  • The methyl group on the benzene ring can influence the reactivity, allowing for selective reactions and controlling regioselectivity.
  • It’s a prime example of how simple modifications to a molecular structure can result in profound changes in chemical behavior.

In conclusion, 4-methylbenzenesulfonate is not just a chemical compound; it represents a bridge between simple organic molecules and complex synthetic chemistry. Its importance in both laboratory settings and industrial applications makes it a subject worth studying and understanding.