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Iohexal

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Identification
Molecular formula
C9H9I3N2O4
CAS number
66108-95-0
IUPAC name
5-allyl-5-(2-hydroxy-3-iodo-propyl)hexahydropyrimidine-2,4,6-trione
State
State

At room temperature, Iohexal is in a solid state. It is usually found as a white crystalline powder.

Melting point (Celsius)
203.50
Melting point (Kelvin)
476.65
Boiling point (Celsius)
95.50
Boiling point (Kelvin)
368.65
General information
Molecular weight
821.14g/mol
Molar mass
821.1400g/mol
Density
1.5000g/cm3
Appearence

Iohexal is a crystalline powder that is typically white in color. It does not have a strong odor and is generally stable under standard conditions.

Comment on solubility

Solubility of 5-allyl-5-(2-hydroxy-3-iodo-propyl)hexahydropyrimidine-2,4,6-trione

The solubility of 5-allyl-5-(2-hydroxy-3-iodo-propyl)hexahydropyrimidine-2,4,6-trione is influenced by several factors, including its molecular structure and the presence of functional groups. This compound contains multiple functional groups that play a significant role in determining its solubility characteristics:

  • Hydroxyl Group: The presence of the hydroxyl (-OH) group typically increases solubility in polar solvents due to hydrogen bonding.
  • Iodine Atom: Iodine can introduce some degree of hydrophobicity, potentially influencing solubility in non-polar or less polar solvents.
  • Allyl and Hexahydropyrimidine Structures: The complexity of these structural features can affect the overall solubility behavior as well.

The compound's solubility can vary significantly in different solvent systems. For instance, it is expected to be more soluble in:

  • Water: Due to the hydroxyl group, lending to polar characteristics.
  • Alcohols: Such as ethanol or methanol, which can effectively solvate the compound.

However, it may exhibit lower solubility in:

  • Hydrocarbons: Such as hexane or benzene, where the non-polar regions of the molecule create challenges for solubility.

In conclusion, the solubility of this compound is likely quite variable, depending on the solvent utilized. As the age-old saying goes, “Like dissolves like,” emphasizing the importance of matching polarities for effective solubility. Thus, it is crucial to consider the solvent type when assessing the solubility of 5-allyl-5-(2-hydroxy-3-iodo-propyl)hexahydropyrimidine-2,4,6-trione.

Interesting facts

Interesting Facts about 5-Allyl-5-(2-hydroxy-3-iodo-propyl)hexahydropyrimidine-2,4,6-trione

5-Allyl-5-(2-hydroxy-3-iodo-propyl)hexahydropyrimidine-2,4,6-trione is a fascinating compound with unique features that intrigue both chemists and medicinal researchers alike. This compound belongs to the family of pyrimidine derivatives, which are known for their diverse biological activities.

Biological Significance

This compound exhibits a range of potential medicinal applications due to its structural characteristics, which suggest it may serve as a:

  • Antitumor agent: The presence of the pyrimidine core is often linked to anticancer properties.
  • Antiviral compound: It may display efficacy against various viral infections by interfering with viral replication.
  • Enzyme inhibitor: The structure may mimic the natural substrates of certain enzymes, providing a pathway for research in enzymology.

Structural Highlights

The unique structure of this compound features:

  • A hydroxy group, which can enhance solubility and biological activity.
  • An allyl group that introduces unsaturation, adding to its versatility in synthetic applications.
  • The iodo substitution can serve as a handle for further chemical modifications, making it a valuable starting material for synthesizing other biologically active agents.

Research and Applications

Research exploring compounds like 5-Allyl-5-(2-hydroxy-3-iodo-propyl)hexahydropyrimidine-2,4,6-trione often focuses on:

  • Investigating structure-activity relationships (SAR): Understanding how variations in the structure influence biological properties.
  • Developing targeted drug delivery systems: Leveraging the unique features of the compound for efficient therapeutic delivery.
  • Examining its potential use in novel synthetic pathways: Utilizing its reactivity to create more complex molecules.

As researchers continue to explore the vast possibilities associated with this compound, it embodies the intricate dance between chemistry and biology, unveiling new prospects in the fields of pharmacology and medicinal chemistry.

Synonyms
5-Allyl-5-(2-hydroxy-3-iodopropyl)barbituric acid
3258-52-4
BRN 0257212
BARBITURIC ACID, 5-ALLYL-5-(2-HYDROXY-3-IODOPROPYL)-
Acide 5-allyl-5-(beta-hydroxy-gamma-iodopropyl)barbiturique [French]
Kwas 5-allilo-5-(beta-hydroksy-gamma-jodo-propylo)barbiturowy [Polish]
4-25-00-00458 (Beilstein Handbook Reference)
DTXSID70954304
Acide 5-allyl-5-(beta-hydroxy-gamma-iodopropyl)barbiturique
Kwas 5-allilo-5-(beta-hydroksy-gamma-jodo-propylo)barbiturowy
4,6-Dihydroxy-5-(2-hydroxy-3-iodopropyl)-5-(prop-2-en-1-yl)pyrimidin-2(5H)-one