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Diethylcarbamoyl chloride

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Identification
Molecular formula
C5H10ClNO
CAS number
1068-12-4
IUPAC name
diethyl-(5-oxo-3,4-dihydro-2H-1-benzothiepin-4-yl)ammonium;chloride
State
State

Diethylcarbamoyl chloride is typically a liquid at room temperature. It is often stored in sealed containers to protect it from moisture, as it reacts readily with water. Handling in a controlled environment, such as a laboratory setting, is common to maintain its stability and ensure safety.

Melting point (Celsius)
-2.00
Melting point (Kelvin)
271.15
Boiling point (Celsius)
183.00
Boiling point (Kelvin)
456.15
General information
Molecular weight
121.94g/mol
Molar mass
121.9380g/mol
Density
1.0624g/cm3
Appearence

Diethylcarbamoyl chloride at room temperature occurs generally as a colorless to pale yellow liquid. However, it may appear moderate to dark yellow due to impurities if exposed to light or over time. It has a pungent odor akin to that of other acyl chlorides. Due to its reactive nature, especially with water, it is typically handled under controlled conditions to maintain its clarity and avoid discoloration.

Comment on solubility

Solubility of Diethyl-(5-oxo-3,4-dihydro-2H-1-benzothiepin-4-yl)ammonium Chloride

The solubility of diethyl-(5-oxo-3,4-dihydro-2H-1-benzothiepin-4-yl)ammonium chloride is affected by several factors due to its complex molecular structure. Particularly, the presence of both an ammonium group and a chloride ion suggests that this compound is likely to be soluble in polar solvents. Here are some key considerations:

  • Polar Solvents: This compound is expected to dissolve well in water and other polar solvents because the ammonium group can engage in hydrogen bonding with water molecules.
  • Non-Polar Solvents: Conversely, it is likely to have low solubility in non-polar solvents due to the hydrophilic nature introduced by the charged ammonium and chloride functionalities.
  • Temperature Influence: Increased temperature may enhance solubility as it tends to increase kinetic energy, leading to greater interaction between solvent molecules and the compound.
  • pH Dependency: The solubility may also vary with pH, particularly if the compound participates in acid-base chemistry, which can affect ionization states.

In general, one might expect that:

  • In aqueous solutions, the compound can readily dissociate into its constituent ions.
  • In organic solvents, the solubility may decrease significantly, limiting its effectiveness in non-aqueous environments.

In conclusion, the solubility profile of diethyl-(5-oxo-3,4-dihydro-2H-1-benzothiepin-4-yl)ammonium chloride highlights the importance of solvent choice in its applications and chemical behavior.

Interesting facts

Interesting Facts about Diethyl-(5-oxo-3,4-dihydro-2H-1-benzothiepin-4-yl)ammonium Chloride

Diethyl-(5-oxo-3,4-dihydro-2H-1-benzothiepin-4-yl)ammonium chloride, often referred to as a *therapeutically significant compound*, falls within the intriguing realm of ammonium salts and thiepin derivatives. Here are some notable considerations regarding this compound:

  • Biological Relevance: This compound exhibits potential biological activity, making it a focus of research in pharmacology and medicinal chemistry. The thiepin structure is known to be a key pharmacophore in several therapeutic agents.
  • Synthesis Challenges: The synthesis of diethyl-(5-oxo-3,4-dihydro-2H-1-benzothiepin-4-yl)ammonium chloride can pose certain challenges due to the specificity required in the reaction conditions. Such challenges may include controlling temperature and pH to avoid side reactions.
  • Mechanism of Action: Studying the mechanisms through which this compound interacts with biological systems can unveil its potential uses in treating various disorders, particularly in neuropharmacology.
  • Properties to Explore: Understanding its **ionic** nature as an ammonium salt brings insights into its solubility and reactivity, which can be critical for its applications in drug formulation.
  • Future Research Directions: Ongoing studies may explore how modifications to the ammonium salt functionalization can lead to enhanced efficacy or reduced toxicity, emphasizing the importance of structure-activity relationships in medicinal chemistry.

In summary, diethyl-(5-oxo-3,4-dihydro-2H-1-benzothiepin-4-yl)ammonium chloride is not just a mere chemical compound; it represents a nexus of organic chemistry, pharmacology, and therapeutic development, promising avenues for future discoveries and applications.

Synonyms
21609-68-7
3,4-Dihydro-4-(diethylamino)-1-benzothiepin-5(2H)-one hydrochloride
DTXSID80944211
4-(Diethylamino)-3,4-dihydro-1-benzothiepin-5(2H)-one--hydrogen chloride (1/1)
RefChem:1070083
DTXCID801372563
4-Diethylamino-2,3,4,5-tetrahydro-1-benzothiepin-5-one hydrochloride
1-BENZOTHIEPIN-5(2H)-ONE, 3,4-DIHYDRO-4-(DIETHYLAMINO)-, HYDROCHLORIDE