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1-(azepan-1-yl)-3-methylbut-2-en-1-one

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Identification
Molecular formula
C11H19NO
CAS number
7566-26-3
IUPAC name
1-(azepan-1-yl)-3-methyl-but-2-en-1-one
State
State

This compound is typically a liquid at room temperature, characterized by its relatively low melting point and higher boiling point.

Melting point (Celsius)
-9.00
Melting point (Kelvin)
264.15
Boiling point (Celsius)
234.00
Boiling point (Kelvin)
507.15
General information
Molecular weight
183.29g/mol
Molar mass
183.2850g/mol
Density
0.9335g/cm3
Appearence

1-(Azepan-1-yl)-3-methylbut-2-en-1-one is a colorless to pale yellow liquid. Its appearance is clear and it may have a slight odor.

Comment on solubility

Solubility of 1-(azepan-1-yl)-3-methyl-but-2-en-1-one

The solubility of 1-(azepan-1-yl)-3-methyl-but-2-en-1-one can be determined by considering various factors including its structure and interactions with solvents. This compound features a unique combination of a cyclic amine and a carbonyl group, which greatly influences its solubility in different solvents:

  • Polar solvents: Due to the presence of the nitrogens and carbonyl group, the compound is expected to demonstrate moderate solubility in polar protic solvents, such as water and alcohols.
  • Non-polar solvents: The hydrocarbon portion of the molecule suggests that it may also have good solubility in non-polar solvents, like hexane or benzene.
  • Halogenated solvents: Compounds similar in structure often show decent solubility in halogenated solvents due to favorable dipole-dipole interactions.

In summary, the solubility of 1-(azepan-1-yl)-3-methyl-but-2-en-1-one is likely to be influenced by:

  • The presence of functional groups that can engage in hydrogen bonding.
  • The nature of the solvent, being either polar or non-polar.
  • Temperature, as increased temperatures can enhance solubility for many compounds.

Considering these factors, researchers can predict and test solubility in a range of solvents to maximize the compound’s applicability in various chemical processes.

Interesting facts

Interesting Facts about 1-(Azepan-1-yl)-3-methyl-but-2-en-1-one

1-(Azepan-1-yl)-3-methyl-but-2-en-1-one is a fascinating compound that has captured the attention of both chemists and pharmacologists. Here are some intriguing aspects of this compound that highlight its significance:

  • Structural uniqueness: The presence of an azepane ring—a seven-membered saturated cyclic amine—adds a unique structural element to this compound, which is crucial in its interactions with biological systems.
  • Potential applications: Compounds structured similarly to 1-(azepan-1-yl)-3-methyl-but-2-en-1-one are often investigated for their pharmacological properties, including potential roles in drug development due to their versatility in interactions with various biological targets.
  • Versatility: The presence of both a double bond and a carbonyl group in the compound indicates that it might undergo various chemical reactions, making it a potential intermediate in organic synthesis.
  • Research significance: Scientists are actively exploring derivatives of this compound to understand how modifications affect its biological activity, which could lead to the development of novel therapeutics.
  • Regioselectivity: The positioning of the substituents around the double bond can significantly influence the reactivity and selectivity in subsequent chemical reactions, making it a valuable compound for studies in asymmetric synthesis.

As we continue to unravel the complexities surrounding 1-(azepan-1-yl)-3-methyl-but-2-en-1-one, researchers are excited about the insights it may provide into both fundamental chemistry and potential therapeutic avenues. As one scientist put it, "The study of such compounds often leads to insights that transcend chemistry, diving deep into the mechanisms of life itself."

Synonyms
16667-35-9
1H-AZEPINE, HEXAHYDRO-1-(3-METHYL-1-OXO-2-BUTENYL)-
AI3-36171-Ga
1-(3-Methyl-1-oxo-2-butenyl)hexahydro-1H-azepine
DTXSID80168152