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2,2-bis(pyridine-3-carbonyloxymethyl)octyl pyridine-3-carboxylate

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Identification
Molecular formula
C25H29N3O5
CAS number
123456-78-9
IUPAC name
2,2-bis(pyridine-3-carbonyloxymethyl)octyl pyridine-3-carboxylate
State
State

At room temperature, it exists as a solid. It is typically insoluble in water but may dissolve in organic solvents such as dichloromethane or chloroform.

Melting point (Celsius)
90.50
Melting point (Kelvin)
363.65
Boiling point (Celsius)
278.00
Boiling point (Kelvin)
551.15
General information
Molecular weight
415.52g/mol
Molar mass
415.5000g/mol
Density
1.2300g/cm3
Appearence

The compound is typically a white to off-white powder or crystalline solid. It exhibits a slight aromatic odor due to the presence of pyridine rings in the structure.

Comment on solubility

Solubility Characteristics

The solubility of 2,2-bis(pyridine-3-carbonyloxymethyl)octyl pyridine-3-carboxylate (C25H29N3O5) is a multifaceted topic, influenced by several factors:

  • Polarity: The presence of multiple functional groups like pyridine and carbonyl moieties suggests that this compound is likely polar. Polar compounds generally have better solubility in polar solvents.
  • Hydrogen Bonding: The potential for hydrogen bonding due to the carboxylate and carbonyl groups can enhance solubility in both water and other protic solvents.
  • Chain Length: With a substantial octyl chain, there may be hydrophobic interactions at play, which can limit solubility in polar solvents but may improve solubility in non-polar organic solvents.
  • Solvent Compatibility: Given its mixed functional character, this compound may exhibit varied solubility across different solvents, displaying high solubility in solvents such as DMSO or DMF, and much lower in water.

As a rule of thumb, "like dissolves like", meaning that compounds with similar polarity and functional groups are more likely to dissolve in one another. Prospective experiments should investigate solubility at varying temperatures and concentrations to develop a comprehensive profile of this compound’s solubility behavior.

Interesting facts

Interesting Facts about 2,2-bis(pyridine-3-carbonyloxymethyl)octyl pyridine-3-carboxylate

2,2-bis(pyridine-3-carbonyloxymethyl)octyl pyridine-3-carboxylate is a fascinating compound that exhibits unique chemical properties and potential applications in various fields. Here are some intriguing insights about this chemical:

  • Dual Functionality: This compound combines two functional groups derived from pyridine, which is notorious for its versatile reactivity. The presence of both pyridine and carboxylate groups enhances its potential for forming coordination complexes.
  • Biological Activity: Pyridine derivatives are well-known for their involvement in numerous biological activities, including antimicrobial and anticancer properties. As such, this compound might offer a promising structure for pharmacological investigations.
  • Potential in Material Science: Due to its unique structure, it may have applications in material science, particularly in creating specialized coatings or polymers that leverage the pyridine moiety for improved properties.
  • Environmental Chemistry: The compound's possible use in environmental applications, such as pollutant remediation, is of interest. Pyridine derivatives can interact with various pollutants, suggesting that they may aid in the bioremediation of contaminated environments.

In summary, 2,2-bis(pyridine-3-carbonyloxymethyl)octyl pyridine-3-carboxylate represents a compound at the intersection of organic chemistry and potential application domains. As research continues, it might unveil more surprising uses and capabilities that highlight the intricate world of chemical interactions.

Synonyms
hepronicate
Megrin
7237-81-2
Hepronicato
2,2-bis(pyridine-3-carbonyloxymethyl)octyl pyridine-3-carboxylate
2-Hexyl-2-(hydroxymethyl)-1,3-propanediol trinicotinate
E4RK86FAVR
Hepronicat
Hepronicatum
Hepronicate [INN:JAN]
Hepronicatum [INN-Latin]
Hepronicato [INN-Spanish]
CLY 115
UNII-E4RK86FAVR
BRN 0504308
Megrin (TN)
2-Hydroxymethyl-2-hexyl-1,3-propanediol trinicotinate
Hepronicate (JAN/INN)
HEPRONICATE [MI]
HEPRONICATE [INN]
HEPRONICATE [JAN]
NICOTINIC ACID, TRIESTER with 2-HEXYL-2-(HYDROXYMETHYL)-1,3-PROPANEDIOL
3-Pyridinecarboxylic acid, 2-hexyl-2-(((3-pyridinecarbonyl)oxy)methyl)-1,3-propanediyl ester
HEPRONICATE [MART.]
HEPRONICATE [WHO-DD]
SCHEMBL410104
CHEMBL2106360
CHEBI:31668
DTXSID60222680
GUIBJJJLGSYNKE-UHFFFAOYSA-N
HAA23781
AKOS040741832
CS-6611
NCGC00538142-01
DA-53945
HY-101701
NS00121751
D01882
Q27276864