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Ethyl 1-methyl-4-phenylazepane-4-carboxylate

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Identification
Molecular formula
C16H23NO2
CAS number
74583-74-7
IUPAC name
ethyl 1-methyl-4-phenyl-azepane-4-carboxylate
State
State

At room temperature, Ethyl 1-methyl-4-phenylazepane-4-carboxylate is typically in a liquid state. It is stable under standard conditions and should be stored in a cool, dry place away from incompatible substances.

Melting point (Celsius)
-20.00
Melting point (Kelvin)
253.15
Boiling point (Celsius)
320.00
Boiling point (Kelvin)
593.15
General information
Molecular weight
247.34g/mol
Molar mass
247.3380g/mol
Density
1.0700g/cm3
Appearence

The compound typically appears as a clear to pale yellow liquid. It might be slightly viscous in nature and contains aromatic scent characteristics due to the phenyl group.

Comment on solubility

Solubility of Ethyl 1-methyl-4-phenyl-azepane-4-carboxylate

Ethyl 1-methyl-4-phenyl-azepane-4-carboxylate, a compound that contains both aliphatic and aromatic components, offers intriguing insights into its solubility characteristics. Here are some key points to consider:

  • Polarity: The presence of the carboxylate group tends to increase the polarity of the molecule. This usually enhances solubility in polar solvents like water and can lead to increased solubility in alcohols.
  • Aromatic Structure: The phenyl ring can introduce hydrophobic characteristics, which may decrease solubility in very polar solvents. Therefore, this compound may exhibit variable solubility depending on the solvent chosen.
  • Influence of Alkyl Groups: The ethyl group is known to enhance solubility in organic solvents such as ethanol and acetone, making this compound potentially more soluble in such environments.

In summary, the solubility of ethyl 1-methyl-4-phenyl-azepane-4-carboxylate can be best understood as a balance between its polar and non-polar functional groups. The specific conditions, such as temperature and solvent characteristics, will determine its overall behavior in different environments. Understanding these aspects will be crucial for applications in synthetic chemistry and materials science.

Interesting facts

Interesting Facts about Ethyl 1-Methyl-4-Phenyl-Azepane-4-Carboxylate

Ethyl 1-methyl-4-phenyl-azepane-4-carboxylate is a fascinating compound that captures the attention of chemists due to its unique structure and potential applications. Here are some intriguing aspects of this chemical:

  • Structural Significance: This compound features an azepane ring, which is a seven-membered cyclic structure. The presence of both ethyl and phenyl groups contributes to its distinctive reactivity and chemical properties.
  • Pharmaceutical Relevance: Compounds with similar structural motifs are often investigated for their biological activities. They can serve as precursors in the synthesis of various pharmaceutical agents, particularly in the development of drugs targeting neurological disorders.
  • Versatile Reactivity: Ethyl 1-methyl-4-phenyl-azepane-4-carboxylate can participate in a variety of chemical reactions, including esterification and amidation, making it valuable in organic synthesis.
  • Research Interest: According to recent studies, compounds featuring azepane frameworks are being explored for their potential in designing novel therapeutic agents. They may exhibit unique mechanisms of action that could lead to breakthroughs in medicine.
  • Tuning Properties: By modifying the substituents on the azepane ring, chemists can tailor the physical and chemical properties of the compound, enhancing its efficacy and compatibility in various applications.

The exploration of ethyl 1-methyl-4-phenyl-azepane-4-carboxylate and its derivatives opens up pathways for innovative research in synthetic organic chemistry and medicinal chemistry. As scientists delve deeper into its properties and potential uses, we may soon discover even more reasons to be fascinated by this compound.

Synonyms
ETHOHEPTAZINE
77-15-6
Aethoheptazin
ethyl 1-methyl-4-phenylazepane-4-carboxylate
Zactane
Ethyl heptazine
Ethoheptazinum
Etoheptazina
Ethoheptazinum [INN-Latin]
Etoheptazina [INN-Spanish]
WY 401
HSDB 3326
Ethoheptazine [INN:BAN]
EINECS 201-007-3
4-Carbethoxy-1-methyl-4-phenylazacycloheptane
1-Methyl-4-carbethoxy-4-phenylhexamethylenimine
4-Carbethoxy-1-methyl-4-phenylhexamethylenimine
1-Methyl-4-carbethoxy-4-phenylhexamethyleneimine
BRN 0088192
3A4G3A848U
1H-Azepine-4-carboxylic acid, hexahydro-1-methyl-4-phenyl-, ethyl ester
Ethyl hexahydro-1-methyl-4-phenyl-azepine-4-carboxylate
ETHOHEPTAZINE [MI]
Hexahydro-1-methyl-4-phenyl-4-azepinecarboxylic acid ethyl ester
ETHOHEPTAZINE [INN]
Azepine-4-carboxylic acid, hexahydro-1-methyl-4-phenyl-, ethyl ester
ETHOHEPTAZINE [HSDB]
ETHOHEPTAZINE [VANDF]
ETHOHEPTAZINE [WHO-DD]
DTXSID7023017
4-22-00-01044 (Beilstein Handbook Reference)
Aethoheptazin;Ethyl heptazine;Wy 401
Ethoheptazinum (INN-Latin)
Etoheptazina (INN-Spanish)
NCGC00183870-01
ethylheptazine
heptacyclazin
UNII-3A4G3A848U
SCHEMBL24581
CHEMBL170797
DTXCID403017
CHEBI:135074
AKOS016010413
DB08988
Ethyl 1-methyl-4-phenyl-4-azepanecarboxylate #
EN300-18562833
Q5404408
Ethyl hexahydro-1-methyl-4-phenyl-1H-azepine-4-carboxylate
4-ETHOXYCARBONYL-1-METHYL-4-PHENYL-HEXAHYDRO-1H-AZEPINE
201-007-3