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Ethanone, 1-[[10H-phenothiazin-10-yl(propyl-3)]-4-[2-hydroxyethyl]piperazin-1-yl]

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Identification
Molecular formula
C29H36N2O3
CAS number
94-24-6
IUPAC name
but-2-enedioic acid;1-[10-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]phenothiazin-2-yl]ethanone
State
State

At room temperature, this compound exists as a crystalline solid.

Melting point (Celsius)
161.00
Melting point (Kelvin)
434.15
Boiling point (Celsius)
557.60
Boiling point (Kelvin)
830.80
General information
Molecular weight
456.59g/mol
Molar mass
456.5860g/mol
Density
1.3500g/cm3
Appearence

This compound appears as a light yellow to off-white crystalline powder.

Comment on solubility

Solubility Overview

When considering the solubility of but-2-enedioic acid; 1-[10-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]phenothiazin-2-yl]ethanone, several factors play a crucial role. This complex organic compound consists of multiple functional groups that significantly influence its behavior in various solvents. Here are key aspects to consider:

  • Polar and Nonpolar Functional Groups: The presence of polar groups, such as hydroxyl (-OH) and the piperazine ring, can enhance solubility in polar solvents like water. In contrast, nonpolar regions may favor solubility in organic solvents.
  • pH Dependency: The solubility of but-2-enedioic acid can be affected by pH due to its acidic nature, potentially increasing solubility in a basic environment.
  • Hydrogen Bonding: Hydrogen bonding capabilities of the -OH group and nitrogen atoms in the piperazine component can lead to improved aqueous solubility.
  • General Trends: Generally, compounds with extensive molecular complexity often demonstrate reduced solubility, especially in nonpolar solvents.

Overall, while specific solubility data for this compound may vary, it is likely a good candidate for moderate solubility in polar solvents and potentially limited solubility in nonpolar solvents. Further empirical testing is essential for precise solubility determination.

Interesting facts

Interesting Facts about But-2-enedioic Acid and Its Derivative

But-2-enedioic acid, commonly known as fumaric acid, is a fascinating organic compound that plays a significant role in various biochemical processes. Here are some compelling insights:

  • Biochemical Importance: Fumaric acid is a key intermediate in the Krebs cycle, which is crucial for cellular respiration in living organisms. It is involved in the conversion of carbohydrates, fats, and proteins into energy.
  • Health Benefits: Research suggests that fumaric acid derivatives may have potential therapeutic effects in treating conditions such as psoriasis and multiple sclerosis. Its anti-inflammatory properties make it a subject of interest in pharmaceuticals.
  • Food Additive: Fumaric acid is also used as a food additive, contributing to acidity regulation and flavor enhancement. It is often seen in packaged foods, particularly in products that require a tart taste.
  • Trans-Isomer: The compound exists in two geometric forms: fumaric acid (trans) and maleic acid (cis). The trans form is more stable and commonly found in nature.

In its derivative form, 1-[10-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]phenothiazin-2-yl]ethanone, we see the complexity and creativity of organic chemistry. This compound exemplifies the intersection of pharmacology and molecular design. Key points include:

  • Complex Structure: This derivative showcases a unique combination of piperazine and phenothiazine moieties, which may enhance the pharmacological profile due to their diverse biological activities.
  • Drug Development: Compounds like this are often explored in drug development due to their potential effects on the central nervous system and uses in treating psychiatric disorders.
  • Research Opportunities: The intricate structure opens various avenues for research, allowing chemists and pharmacologists to explore structure-activity relationships and optimize therapeutic efficacy.

Both fumaric acid and its derivative highlight the intricate connections between chemistry and health, demonstrating how small changes in structure can lead to significant differences in activity and application.