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TAK-242

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Identification
Molecular formula
C15H18ClN3O2
CAS number
220904-83-6
IUPAC name
4-pyrrolidin-1-ium-3-yl-1,4-benzoxazin-3-one;chloride
State
State

At room temperature, TAK-242 is in a solid state, specifically in crystalline powder form.

Melting point (Celsius)
201.00
Melting point (Kelvin)
474.15
Boiling point (Celsius)
263.30
Boiling point (Kelvin)
536.45
General information
Molecular weight
321.83g/mol
Molar mass
321.8200g/mol
Density
1.4500g/cm3
Appearence

TAK-242 appears as a white to off-white crystalline powder. It is typically characterized by its fine particulate nature.

Comment on solubility

Solubility of 4-pyrrolidin-1-ium-3-yl-1,4-benzoxazin-3-one;chloride

The solubility characteristics of 4-pyrrolidin-1-ium-3-yl-1,4-benzoxazin-3-one;chloride are of significant interest in both theoretical and practical applications. This compound, due to its ionic nature from the chloride component, typically displays solubility behavior that can be categorized as follows:

  • Water Solubility: Ionic compounds generally have good solubility in water, owing to their ability to interact with polar water molecules. The presence of the ±Cl anion enhances this solubility.
  • Solvents: It might also be soluble in polar organic solvents such as methanol or ethanol, which can stabilize the ionic interactions.
  • Temperature Dependence: The solubility may increase with temperature, which is a common behavior for many ionic compounds.

Furthermore, it is crucial to consider the pH of the solvent as it can influence the ionization of the compound, thereby affecting its solubility. As a general observation, ionic salts are not soluble in non-polar solvents, indicating that solubility is highly dependent on the solvent's polarity. As the saying goes, "like dissolves like."

In summary, while 4-pyrrolidin-1-ium-3-yl-1,4-benzoxazin-3-one;chloride is anticipated to be soluble in polar solvents, understanding the interactions with various types of solvents can provide deeper insights into its practical applications.

Interesting facts

Interesting Facts About 4-pyrrolidin-1-ium-3-yl-1,4-benzoxazin-3-one;chloride

This unique compound, known as 4-pyrrolidin-1-ium-3-yl-1,4-benzoxazin-3-one;chloride, plays a fascinating role in various scientific applications. Here are some intriguing aspects to consider:

  • Structural Diversity: The compound features a benzoxazinone backbone which is significant for its bioactive properties, making it a valuable target in medicinal chemistry.
  • Chloride Ion: The presence of the chloride ion suggests potential solvation and stability characteristics, important in the reactivity and interaction of the compound in solutions.
  • Applications in Research: Compounds like this have been investigated for their role as potential pharmaceuticals, especially in the field of neurochemistry due to their structural similarity to neurotransmitters.
  • Natural Occurrence: Benzoxazinones, in general, have been found in various plant species, hinting at their biological significance and potential ecological roles.

In the words of a leading researcher, "Compounds with heterocyclic structures like benzoxazinones showcase the beauty of organic chemistry, intertwining nature and innovation." This highlights the ongoing interest in synthetic and naturally occurring derivatives.

Furthermore, understanding the behavior and reactivity of 4-pyrrolidin-1-ium-3-yl-1,4-benzoxazin-3-one;chloride could pave the way for the development of new materials or therapeutic agents that could have profound benefits in medicine and industry.

Synonyms
4-(3-Pyrrolidinyl)-2H-1,4-benzoxazin-3(4H)-one hydrochloride
2H-1,4-BENZOXAZIN-3(4H)-ONE, 4-(3-PYRROLIDINYL)-, HYDROCHLORIDE
23150-86-9
RefChem:1065107