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Dichloroacetyl anatoxin

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Identification
Molecular formula
C14H15Cl2NNaO7
CAS number
65277-42-1
IUPAC name
sodium;4-[2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propoxy]-4-oxo-butanoate
State
State

At room temperature, Dichloroacetyl anatoxin is in a solid state, typically crystalline in nature.

Melting point (Celsius)
141.00
Melting point (Kelvin)
414.15
Boiling point (Celsius)
344.00
Boiling point (Kelvin)
617.15
General information
Molecular weight
426.21g/mol
Molar mass
426.2080g/mol
Density
1.5400g/cm3
Appearence

Dichloroacetyl anatoxin is typically a white crystalline solid.

Comment on solubility

Solubility of Sodium 4-[2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propoxy]-4-oxo-butanoate

The solubility of sodium 4-[2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propoxy]-4-oxo-butanoate in water is influenced by several key factors:

  • Ionic Nature: As a sodium salt, it tends to be more soluble in water due to the presence of the Na+ cation, which generally enhances solubility in aqueous solutions.
  • Hydrophilic Functional Groups: The compound contains various polar functional groups, such as amino and hydroxy groups, which can interact favorably with water molecules, promoting dissolution.
  • Hydrophobic Interactions: The presence of dichloroacetyl and nitrphenyl moieties may introduce some hydrophobic characteristics, which could potentially reduce solubility to some extent.

In practical terms, one might observe that:

  1. The compound is likely to be soluble in polar organic solvents as well.
  2. Temperature can play a role, with increased temperatures often enhancing solubility for many compounds.
  3. Adjustments to pH may further influence the ionization state of the compound, thereby affecting its overall solubility profile.

In summary, while sodium 4-[2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propoxy]-4-oxo-butanoate is expected to exhibit moderate to good solubility in water, its actual solubility would depend on environmental conditions and the balance between hydrophilic and hydrophobic interactions.

Interesting facts

Interesting Facts about Sodium; 4-[2-[(2,2-Dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propoxy]-4-oxo-butanoate

This compound, often referred to by its more common name, showcases intriguing characteristics that highlight its potential applications in various fields, particularly in pharmaceutical chemistry. Here are some engaging facts about this compound:

  • Diverse Functional Groups: The presence of multiple functional groups, including amino, hydroxy, and nitrophenyl moieties, contributes to the compound's reactivity and versatility. This complexity can lead to unique therapeutic properties.
  • Potential Anticancer Activity: Research has shown that compounds like this one may possess anticancer properties, owing to the presence of the nitrophenyl group, which has been linked to the inhibition of tumor cell proliferation.
  • Role in Drug Delivery: The structural architecture of this compound indicates potential uses in drug delivery systems. The incorporation of hydrophilic and lipophilic elements may enhance its ability to traverse biological membranes.
  • Chirality and Stereochemistry: The compound contains stereogenic centers, making its stereochemistry an important consideration in the development of drugs. Different enantiomers could exhibit distinct pharmacological effects.
  • Synthetic Pathways: The synthesis of this compound often involves intricate chemical reactions, showcasing the ingenuity of organic synthesis techniques. The use of reagents and catalysts can significantly influence the yield and purity.

The exploration of compounds like sodium; 4-[2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propoxy]-4-oxo-butanoate is essential in advancing our understanding of medicinal chemistry and developing new therapeutic interventions. As scientists continue to investigate its properties and applications, this compound stands as a testament to the intricate interplay between structure and function in chemistry.

Synonyms
SCHEMBL23359155
STR09456
AKOS024374915
DB-057717
sodium 4-[2-(2,2-dichloroacetamido)-3-hydroxy-3-(4-nitrophenyl)propoxy]-4-oxobutanoate
sodium 4-[2-[(dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propoxy]-4-oxobutanoate