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No common name

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Identification
Molecular formula
C18H30ClNO
CAS number
.
IUPAC name
1-[2-(5-chloro-2-ethoxy-phenyl)-3-methyl-pentyl]azepane
State
State

At room temperature, this compound is typically in a liquid state.

Melting point (Celsius)
-10.00
Melting point (Kelvin)
263.00
Boiling point (Celsius)
288.00
Boiling point (Kelvin)
561.00
General information
Molecular weight
307.89g/mol
Molar mass
307.8860g/mol
Density
1.1200g/cm3
Appearence

The compound is typically in the form of a colorless to faint yellow liquid, often appearing clear and transparent. It may have a characteristic odor based on its chemical structure.

Comment on solubility

Solubility of 1-[2-(5-chloro-2-ethoxy-phenyl)-3-methyl-pentyl]azepane

The solubility of the compound 1-[2-(5-chloro-2-ethoxy-phenyl)-3-methyl-pentyl]azepane can be characterized based on its molecular structure and functional groups. Solubility in various solvents can be influenced by several factors:

  • Hydrophilicity vs. Hydrophobicity: The presence of the ethoxy group suggests that the compound may exhibit some hydrophilic properties, enhancing its solubility in polar solvents, particularly alcohols and potentially some aqueous solutions.
  • Chlorine Substituent: The chloro substitution may contribute to increased solubility in organic solvents due to its ability to engage in dipole-dipole interactions.
  • Aliphatic Chains: The long pentyl aliphatic chain may impart hydrophobic character, potentially making the compound less soluble in water but more soluble in non-polar organic solvents.

In essence, 1-[2-(5-chloro-2-ethoxy-phenyl)-3-methyl-pentyl]azepane is expected to have a mixed solubility profile. It may solubilize better in:

  1. Polar solvents: Such as ethanol and methanol
  2. Non-polar solvents: Such as hexane or dichloromethane

Due to its unique structure, predicting the exact solubility requires empirical testing, which will yield a comprehensive understanding of its behavior in various environments.

Interesting facts

Interesting Facts about 1-[2-(5-chloro-2-ethoxy-phenyl)-3-methyl-pentyl]azepane

This compound is a fascinating member of the azepane family, which is known for its structural complexity and potential biological activity. Here are several intriguing aspects that highlight its significance in chemical research:

  • Structural Insights: The presence of a 5-chloro substituent on a phenyl ring enhances the compound's reactivity and can potentially influence its biological interactions.
  • Ethoxy Group: The ethoxy functional group contributes to its lipophilicity, making it more soluble in organic solvents. This can be particularly useful when studying pharmacological properties.
  • Pharmacological Potential: Azepane derivatives, including this compound, have been investigated for their ability to serve as ligands in various receptor-related studies, indicating potential therapeutic applications.
  • Synthesis Opportunities: The intricate structure of this molecule opens up numerous avenues for synthetic chemists, leading to the exploration of new reactions and methodologies for creating related compounds.
  • Importance of Chirality: If any stereogenic centers are present in the structure, they could lead to different biological activities, emphasizing the need for chiral resolution during synthesis.

In summary, 1-[2-(5-chloro-2-ethoxy-phenyl)-3-methyl-pentyl]azepane stands out as a compound that bridges molecular structure and biological function. Its unique features not only warrant further investigation into its properties but also invite exploration in the context of medicinal chemistry and drug discovery.

Synonyms
BRN 1653733
29122-62-1
1-(beta-(sec-Butyl)-5-chloro-2-ethoxyphenethyl)hexahydroazepine
AZEPINE, HEXAHYDRO-1-(beta-(sec-BUTYL)-5-CHLORO-2-ETHOXYPHENETHYL)-
RefChem:320290
1-[2-(5-chloro-2-ethoxyphenyl)-3-methylpentyl]azepane
DTXSID30951718