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Betaines

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Identification
Molecular formula
C17H24N2O6
CAS number
34367-93-0
IUPAC name
[2-(2-benzoylpyrrol-1-yl)-1-methyl-ethyl]-dimethyl-ammonium;2-(carboxymethyl)-2,4-dihydroxy-4-oxo-butanoate
State
State

At room temperature, the compound is in a solid state, characterized by its stability and crystalline nature.

Melting point (Celsius)
240.00
Melting point (Kelvin)
513.15
Boiling point (Celsius)
295.00
Boiling point (Kelvin)
568.15
General information
Molecular weight
392.46g/mol
Molar mass
392.4600g/mol
Density
1.2000g/cm3
Appearence

The compound appears as a white crystalline solid, often showing a lustrous appearance, and can sometimes be powdery in form.

Comment on solubility

Solubility Overview

The solubility of the compound [2-(2-benzoylpyrrol-1-yl)-1-methyl-ethyl]-dimethyl-ammonium;2-(carboxymethyl)-2,4-dihydroxy-4-oxo-butanoate is influenced by several factors, primarily its structural components. Understanding solubility is crucial for various applications, particularly in pharmaceuticals and chemical formulations.

Key Factors Affecting Solubility

  • Polarity: The presence of polar functional groups, such as the carboxymethyl and hydroxyl groups in this compound, generally increases solubility in polar solvents like water.
  • Hydrogen Bonding: The hydroxyl groups can form hydrogen bonds with water molecules, enhancing solubility.
  • Electrostatic Interactions: The ammonium portion of the compound can interact with negatively charged ions in solution, promoting solubility in certain conditions.
  • Molecular Size: Larger molecular weights may impede solubility, but the presence of smaller functional groups can balance this effect.

General Insights

In summary, the solubility of this compound is likely to be moderate to high in polar solvents due to its functional groups capable of engaging in hydrogen bonding and electrostatic interactions. As a general rule:

  1. Polar solvents will typically dissolve compounds with polar functional groups better than non-polar solvents.
  2. Solvent temperature also plays a significant role, as increased temperature usually enhances solubility.

Overall, the intricate balance of polarity, molecular size, and functional group characteristics contributes significantly to the solubility profile of [2-(2-benzoylpyrrol-1-yl)-1-methyl-ethyl]-dimethyl-ammonium;2-(carboxymethyl)-2,4-dihydroxy-4-oxo-butanoate, making it an interesting subject for further investigation.

Interesting facts

Interesting Facts about [2-(2-benzoylpyrrol-1-yl)-1-methyl-ethyl]-dimethyl-ammonium; 2-(carboxymethyl)-2,4-dihydroxy-4-oxo-butanoate

This compound is a fascinating example of the interplay between organic chemistry and pharmacology. Here are some intriguing aspects about it:

  • Dual Functionality: This compound consists of two distinct components, showcasing the versatility that can arise from the combination of different chemical moieties. The primary structure includes a benzoylpyrrole unit, which is known for its potential biological activities.
  • Pharmacological Implications: Pyrroles have been studied for their pharmacological properties, including anti-inflammatory and antiviral activities. This composition may influence the efficacy of pharmaceutical agents, making it a subject of interest in drug design.
  • Dimethylammonium Influence: The dimethylammonium group contributes to the compound's solubility and interaction with biological membranes, facilitating its function as a potential drug candidate.
  • Carboxymethyl Group: The second part of the compound introduces a carboxymethyl moiety, which is significant in increasing the hydrophilicity of the molecule and enhancing its interaction with biological targets.
  • Structure-Activity Relationship: The presence of multiple functional groups allows for a comprehensive study of structure-activity relationships, guiding further modifications and optimizations in synthetic chemistry.

As a student or a researcher, exploring this compound opens up avenues not only for understanding its chemical behavior but also for unveiling its potential applications in medicinal chemistry. The combination of diverse functional groups makes it an exciting candidate for future studies in drug development and biological activity assessment.

Synonyms
2-Benzoyl-1-(3-(dimethylamino)propyl)pyrrole citrate
7001-97-0
KETONE, 1-(2-(DIMETHYLAMINO)PROPYL)PYRROL-2-YL PHENYL, CITRATE