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Benzyl 1-[2-(azepan-1-yl)ethyl]-2-oxocyclohexanecarboxylate

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Identification
Molecular formula
C21H31NO3
CAS number
879487-08-6
IUPAC name
benzyl 1-[2-(azepan-1-yl)ethyl]-2-oxo-cyclohexanecarboxylate
State
State

This compound is generally considered a liquid at room temperature, exhibiting properties typical of organic esters. It may appear slightly oily or viscous.

Melting point (Celsius)
23.50
Melting point (Kelvin)
296.70
Boiling point (Celsius)
350.20
Boiling point (Kelvin)
623.40
General information
Molecular weight
345.47g/mol
Molar mass
345.4710g/mol
Density
1.1500g/cm3
Appearence

This compound is typically a liquid at room temperature, though it may also present as a viscous oil. Its appearance may range from colorless to pale yellow, and it is known for having a distinctive fragrant or aromatic odor.

Comment on solubility

Solubility of Benzyl 1-[2-(azepan-1-yl)ethyl]-2-oxo-cyclohexanecarboxylate

The solubility of benzyl 1-[2-(azepan-1-yl)ethyl]-2-oxo-cyclohexanecarboxylate can be quite intriguing due to its complex structure and the interaction of its functional groups with solvents. This compound, with its ester and amine functionalities, tends to exhibit varying solubility depending on the solvent in question. Here are some key points regarding its solubility:

  • Polar solvents: The presence of the oxo and amine groups may enhance solubility in polar solvents such as water and alcohols.
  • Non-polar solvents: The benzyl group and cyclohexane moiety suggest that non-polar solvents, like hexane and toluene, may also effectively dissolve this compound.
  • Temperature dependence: Solubility can increase with temperature for many organic compounds, so heating may improve dissolution.
  • pH sensitivity: The ionization of the amine group can significantly impact solubility in various pH environments, potentially making it more soluble in acidic or basic solutions.

Overall, the solubility characteristics of this compound can be best understood through experimental methods, as predictions based solely on structural analysis can be limited. It is recommended to explore empirical solubility data or conduct solubility tests under varying conditions to confirm its behavior in diverse solvent systems.

Interesting facts

Interesting Facts about Benzyl 1-[2-(azepan-1-yl)ethyl]-2-oxo-cyclohexanecarboxylate

Benzyl 1-[2-(azepan-1-yl)ethyl]-2-oxo-cyclohexanecarboxylate is a fascinating compound with a variety of applications in the field of chemistry and medicinal research. Here are some interesting points to consider:

  • Structural Complexity: This compound boasts a multi-cyclic structure that includes both cyclohexane and an oxo group, giving it unique chemical properties and varying reactivity.
  • Potential Medicinal Uses: Compounds like this one, featuring azepane rings, are often found in pharmacology as they can exhibit biological activity which may lead to the development of new drugs.
  • Application in Organic Synthesis: Its complex structure allows for the possibility of serving as an intermediate in organic synthesis, paving the way for the creation of even more complex molecules.
  • Reactivity: The presence of the carboxylate group contributes to the compound's reactivity, enabling various types of chemical reactions such as esterification and acylation.
  • Research Potential: Ongoing research into the properties and uses of such compounds can lead to advancements in synthesis methods, medicinal chemistry, and materials science.

As we explore the characteristics of Benzyl 1-[2-(azepan-1-yl)ethyl]-2-oxo-cyclohexanecarboxylate, it is important to appreciate how such seemingly obscure compounds can significantly impact scientific advancements. The study of their properties continues to inspire chemists and researchers alike as they unlock new potentials for practical applications.

Synonyms
Amicibone
23271-63-8
Amicibona
Amicibone [INN]
Amicibono
Amicibonum
Amicibono [INN-Spanish]
Amicibonum [Latin]
Amicibona [Spanish]
Amicibonum [INN-Latin]
UNII-741ZW9MD1G
741ZW9MD1G
AMICIBONE [MI]
Benzyl-1-(2-(hexahydro-1H-azepin-1-yl)ethyl)-2-oxocyclohexanecarboxylate
Amicibonum (Latin)
Benzyl 1-(2-(1-azapanyl)ethyl)-2-oxocyclohexancarboxylat
Amicibonum (INN-Latin)
Amicibono (INN-Spanish)
RefChem:111952
benzyl 1-[2-(azepan-1-yl)ethyl]-2-oxocyclohexane-1-carboxylate
Biotussal; Biotussial; Pectipront
Cyclohexanecarboxylic acid, 1-[2-(hexahydro-1H-azepin-1-yl)ethyl]-2-oxo-, phenylmethyl ester
orb1698466
SCHEMBL1643546
CHEMBL2105937
DTXSID10865086
AKOS040750415
BENZYL 1-[2-(AZEPAN-1-YL)ETHYL]-2-OXO-CYCLOHEXANE-1-CARBOXYLATE
NS00122501
Q27266226