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Tiquizium bromide

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Identification
Molecular formula
C21H24ClNO4S
CAS number
65312-24-9
IUPAC name
1-[2-(4-chlorophenyl)sulfinylethyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium;4-hydroxy-4-oxo-but-2-enoate
State
State

At room temperature, this compound is in a solid state, specifically as a crystalline solid.

Melting point (Celsius)
186.00
Melting point (Kelvin)
459.15
Boiling point (Celsius)
505.00
Boiling point (Kelvin)
778.15
General information
Molecular weight
442.92g/mol
Molar mass
442.9160g/mol
Density
1.2300g/cm3
Appearence

This compound appears as a crystalline solid, typically white or off-white in color. The crystals may vary in size and can exhibit a slightly powdery texture.

Comment on solubility

Solubility Overview

The compound 1-[2-(4-chlorophenyl)sulfinylethyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium;4-hydroxy-4-oxo-but-2-enoate exhibits intriguing solubility characteristics that are integral to its applications.

Key Factors Influencing Solubility

Several factors can influence the solubility of this compound, including:

  • Molecular Structure: The presence of the sulfinyl and methoxy groups contributes to its polar characteristics, potentially enhancing solubility in polar solvents.
  • pH Levels: The ionization of the tetrahydroisoquinolin moiety can significantly affect solubility in aqueous environments, making it more soluble at different pH levels.
  • Temperature: Generally, an increase in temperature may improve solubility, although this can vary depending on the specific interactions within the compound.

Predicted Solubility Behavior

Based on the functional groups present, one might predict its solubility in:

  1. Polar solvents, such as water and alcohols, due to the potential for hydrogen bonding and dipole interactions.
  2. Organic solvents, especially those with moderate polarity, where the compound may have a greater affinity due to its varied structure.

In conclusion, while *exact solubility data* may vary based on experimental conditions, the multifaceted nature of its structure suggests that this compound holds promise for diverse applications in pharmacology and materials science, particularly when solubility is a critical factor for efficacy.

Interesting facts

Interesting Facts about 1-[2-(4-chlorophenyl)sulfinylethyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium; 4-hydroxy-4-oxo-but-2-enoate

This compound is a fascinating member of the isoquinoline family, which is renowned for its diverse biological activities. Here are some intriguing aspects:

  • Biological Relevance: Isoquinolines are often studied for their pharmacological properties, which can include anti-inflammatory, analgesic, and antibacterial effects. This compound, in particular, is of interest in the realm of drug discovery, especially for its potential therapeutic applications.
  • Structural Complexity: With a multi-functional structure that includes both a sulfinyl group and a but-2-enoate segment, this compound can serve as a great model for studying structure-activity relationships in medicinal chemistry. The presence of different functional groups opens pathways for various chemical reactions and interactions.
  • Synthetic Pathways: The synthesis of such a complex compound typically involves intricate multi-step reactions. Chemists often utilize selective reactions to build up the isoquinoline core and install the sulfinyl and but-2-enoate groups, showcasing the beauty of organic synthesis.
  • Research Frontiers: Current research is focusing on the roles that compounds like this one may play in the development of new therapies for diseases such as cancer and neurodegenerative disorders, highlighting their potential as lead compounds in pharmaceutical applications.

As noted by researchers, “the ability to optimize and modify isoquinoline derivatives may lead to breakthrough medical treatments.” Thus, exploring this compound’s properties might unearth valuable insights into both synthetic chemistry and therapeutic applications.

Overall, the study of this compound (beyond its functional uses) also serves as a reminder of the intricacies involved in the design of molecules that can have profound effects on health and disease.