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Ethyl azepane-1-carboxylate

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Identification
Molecular formula
C10H19NO2
CAS number
54819-94-4
IUPAC name
ethyl azepane-1-carboxylate
State
State

At room temperature, ethyl azepane-1-carboxylate is in a liquid state.

Melting point (Celsius)
-20.00
Melting point (Kelvin)
253.15
Boiling point (Celsius)
228.00
Boiling point (Kelvin)
501.15
General information
Molecular weight
171.25g/mol
Molar mass
171.2530g/mol
Density
0.9815g/cm3
Appearence

Ethyl azepane-1-carboxylate is a colorless to light yellow liquid. It has a characteristic ester-like odor. The substance is typically clear and does not display color in its pure form.

Comment on solubility

Solubility of Ethyl Azepane-1-Carboxylate

Ethyl azepane-1-carboxylate, a cyclic compound featuring a carboxylate functional group, exhibits intriguing solubility characteristics that are important for various chemical processes. Understanding its solubility is key to effectively utilizing this compound in both laboratory and industrial settings.

Solubility Profile

The solubility of ethyl azepane-1-carboxylate can be influenced by several factors, including:

  • Polarity: The presence of the carboxylate group contributes to a certain degree of polarity, which enhances its solubility in polar solvents.
  • Temperature: As with many organic compounds, solubility generally increases with temperature; therefore, this compound may dissolve better in warm solvents.
  • pH Levels: The ionization of the carboxylate group can vary with pH, affecting solubility in aqueous solutions; it is likely to be more soluble in alkaline conditions.

In general, one can expect ethyl azepane-1-carboxylate to be soluble in:

  • Polar solvents: Such as water and alcohols, due to the hydrophilic nature of its functional groups.
  • Organic solvents: Including ether and acetone, where it can interact favorably with solvent molecules.

In contrast, it may show limited solubility in non-polar solvents like hexane, reflecting its polar nature. As a rule of thumb, "like dissolves like," and this principle applies to ethyl azepane-1-carboxylate as well.

In summary, the solubility of ethyl azepane-1-carboxylate is multifaceted, influenced by its molecular structure and the nature of the solvent. Further studies can provide valuable insights into its behavior in various chemical environments.

Interesting facts

Interesting Facts about Ethyl Azepane-1-Carboxylate

Ethyl azepane-1-carboxylate is a fascinating compound that holds a significant place in organic chemistry. As a derivative of azepane, it provides insights into cyclic structures and their reactivities.

Key Features of Ethyl Azepane-1-Carboxylate

  • Cyclic Structure: The azepane ring, a seven-membered nitrogen-containing cycle, contributes to unique chemical behaviors, differentiating it from other compounds.
  • Reactivity: This compound participates in various chemical reactions, especially in the formation of more complex molecules, making it valuable in pharmaceutical and agrochemical synthesis.
  • Biological Significance: Compounds related to azepanes are often explored for their potential biological activities, including anti-inflammatory and analgesic properties.

Moreover, ethyl azepane-1-carboxylate may also serve as a building block for synthesizing more intricate structures, which is vital in drug design and medicinal chemistry. The study of such compounds aids chemists in developing new therapeutics, expanding our understanding of molecular interactions.

Applications and Importance

In research and industry, this compound can be utilized in:

  • Drug development, where its azepane structure may lead to innovative treatments.
  • Synthesis of novel materials, highlighting the versatility of its functional groups.
  • Analytical chemistry, as a reference standard in chemical analyses.

As noted in scientific literature, "Understanding non-aromatic heterocycles like azepanes can shed light on novel reactivity patterns and applications." Ethyl azepane-1-carboxylate embodies this concept, bridging theoretical research with practical applications.

Synonyms
Hexamethylene-urethane
27031-51-2
1H-AZEPINE-1-CARBOXYLIC ACID, HEXAHYDRO-, ETHYL ESTER
B8CA7D80IF
NSC 30498
BRN 1342774
AI3-37769
NSC-30498
UNII-B8CA7D80IF
DTXSID90181514
5-20-04-00033 (Beilstein Handbook Reference)
RefChem:79661
DTXCID30104005
ethyl azepane-1-carboxylate
NSC30498
Hexamethyleneurethane
ethyl 1-azepanecarboxylate
ethyl azaperhydroepinecarboxylate
SCHEMBL1713325
SCHEMBL11488922
STK448732
AKOS003268539
1H-Azepine-1-carboxylic acid, ethyl ester
ST50541514