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nonstandard compound

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Identification
Molecular formula
C17H21Cl2FN2
CAS number
.
IUPAC name
[5-fluoro-2-[(2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)methyl]phenyl]ammonium;dichloride
State
State

At room temperature, this compound exists in a solid state, specifically as a crystalline powder. It is hygroscopic and can absorb moisture from the environment, which affects its storage and handling conditions.

Melting point (Celsius)
155.00
Melting point (Kelvin)
428.15
Boiling point (Celsius)
315.00
Boiling point (Kelvin)
588.15
General information
Molecular weight
338.42g/mol
Molar mass
338.4230g/mol
Density
1.3000g/cm3
Appearence

This compound typically appears as a crystalline solid with a white to off-white color. Its crystals may exhibit a fine, powdery texture.

Comment on solubility

Solubility Overview

The compound 5-fluoro-2-[(2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)methyl]phenyl]ammonium;dichloride presents intriguing solubility properties, influenced by its complex structure. Overall, its solubility in various solvents can be discussed in a variety of contexts:

Factors Influencing Solubility

  • Ionic Nature: This compound contains a dichloride group which typically enhances solubility in polar solvents due to its ionic character.
  • Hydrophilicity and Hydrophobicity: The presence of a quaternary ammonium moiety contributes to the ionic solubility in aqueous media, while the tetrahydroisoquinoline structure may impart some hydrophobic characteristics.
  • Temperature: Generally, increased temperatures can enhance solubility; thus, heating may allow for greater dissolution rates in selected solvents.

Solvent Compatibility

The solubility of the compound can vary substantially with the choice of solvent:

  1. Aqueous Solutions: Given its ionic nature, it is likely to be soluble in water.
  2. Alcohols: It may dissolve well in ethanol and methanol due to their ability to solvate ionic species.
  3. Non-polar solvents: Solubility might be limited in non-polar solvents like hexane due to the hydrophobic regions of the molecule.

Conclusion

In summary, the solubility of 5-fluoro-2-[(2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)methyl]phenyl]ammonium;dichloride is significantly influenced by its ionic characteristics and the balance of hydrophilic and hydrophobic portions of its structure. Understanding its solubility behavior is essential for applications in various fields such as pharmaceuticals and chemical synthesis.

Interesting facts

Interesting Facts about 5-fluoro-2-[(2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)methyl]phenyl]ammonium;dichloride

5-fluoro-2-[(2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)methyl]phenyl]ammonium;dichloride is a fascinating compound that falls under the category of ammonium salts. This compound has garnered attention due to its unique structure and potential applications in medicinal chemistry. Here are some notable points:

  • Fluoro Group: The presence of a fluorine atom in its structure enhances the compound's biological activity. Fluorinated compounds are often more effective as pharmaceutical agents because they can increase metabolic stability and bioavailability.
  • Isoquinoline Derivative: The isoquinoline structure is known for its occurrence in several natural products and therapeutic drugs. These derivatives often exhibit various biological activities, making them important in the development of new pharmaceuticals.
  • Potential Applications: Compounds similar to this one are investigated for their potential applications in treating neurological disorders and as antipsychotic agents. The tetrahydroisoquinoline scaffold is particularly recognized for its influence on the central nervous system.
  • Research Interest: This compound is a subject of ongoing research to explore its mechanisms of action. Understanding how it interacts with biological systems could lead to discoveries of new drug formulations.
  • Synthesis Routes: The synthesis of this compound involves advanced organic chemistry techniques, such as nucleophilic substitution and fluorination reactions. Mastery of these synthetic routes is essential for chemists working in drug development.

In conclusion, 5-fluoro-2-[(2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)methyl]phenyl]ammonium;dichloride is an intriguing compound that epitomizes the intricate relationship between chemical structure and biological function. As research progresses, it may contribute significantly to the field of medicinal chemistry.

Synonyms
Isoquinoline, 1,2,3,4-tetrahydro-1-(2-amino-4-fluorobenzyl)-2-methyl-, dihydrochloride
1-(2-Amino-4-fluorobenzyl)-2-methyl-1,2,3,4-tetrahydroisoquinoline dihydrochloride
2803-69-2