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Identification
Molecular formula
C11H15ClN2O2S
CAS number
123456-78-9
IUPAC name
2-(diethylamino)ethyl 5-chloro-3-methyl-isothiazole-4-carboxylate
State
State

The compound is a solid at room temperature. It remains stable in this form, but it should be stored in a cool and dry place to prevent degradation.

Melting point (Celsius)
142.00
Melting point (Kelvin)
415.15
Boiling point (Celsius)
445.20
Boiling point (Kelvin)
718.40
General information
Molecular weight
262.74g/mol
Molar mass
262.7410g/mol
Density
1.1670g/cm3
Appearence

The compound typically appears as an off-white to pale yellow crystalline powder. The powder is fine and may exhibit some clumping due to its hygroscopic nature. Under a microscope, the crystalline structure is visibly granular.

Comment on solubility

Solubility of 2-(diethylamino)ethyl 5-chloro-3-methyl-isothiazole-4-carboxylate

The solubility of 2-(diethylamino)ethyl 5-chloro-3-methyl-isothiazole-4-carboxylate can be influenced by several factors, given its unique chemical structure.

Factors Affecting Solubility

  • Polarity: The presence of polar functional groups in the compound generally increases its solubility in polar solvents, such as water.
  • Hydrogen Bonding: Compounds that can form hydrogen bonds tend to have enhanced solubility due to interactions with solvent molecules.
  • Alkyl Chain Length: The diethylamino group introduces hydrophobic characteristics, which may reduce solubility in highly polar solvents.

For practical applications, one might observe the following general trends regarding this compound:

  1. It is likely soluble in organic solvents such as ethanol and acetone, due to the presence of alkyl substituents.
  2. Its solubility in water may be limited owing to the competing hydrophobic interactions from the diethylamino group.
  3. Temperature may play a significant role, with increased temperatures typically enhancing solubility.

In summary, while 2-(diethylamino)ethyl 5-chloro-3-methyl-isothiazole-4-carboxylate exhibits some solubility in polar and non-polar solvents, understanding its solubility profile is crucial for its effective application in various chemical processes.

Interesting facts

Interesting Facts about 2-(Diethylamino)ethyl 5-chloro-3-methyl-isothiazole-4-carboxylate

2-(Diethylamino)ethyl 5-chloro-3-methyl-isothiazole-4-carboxylate is a fascinating compound that falls within the realm of isothiazoles, a class known for their unique ring structures containing sulfur and nitrogen. This compound has garnered attention due to its potential applications and interesting properties.

Key Highlights:

  • Biological Activity: This compound holds promise in medicinal chemistry, specifically for its ability to demonstrate antibacterial and antifungal properties. Compounds with isothiazole rings are frequently investigated for their therapeutic potential.
  • Functionalization: The presence of the diethylamino group enhances its solubility and the possibility of further functionalization, which opens doors for tailoring the compound for specific biological targets.
  • Symbol of Versatility: Isothiazoles are known for their versatility in synthetic chemistry. This particular compound exemplifies how modifications can lead to a wide range of derivatives, each with unique properties and activities.
  • Potential Agricultural Use: Due to its chemical structure, it is speculated that this compound could be useful as a fungicide or pesticide, contributing to agricultural practices while addressing the urgent need for effective crop protection strategies.

As John M. McCoy, a renowned chemist, once said, “Chemistry is like cooking just don’t lick the spoon.” In the case of 2-(diethylamino)ethyl 5-chloro-3-methyl-isothiazole-4-carboxylate, careful synthesis and investigation could lead to valuable discoveries that enhance our understanding of chemical interactions and biological applications. This compound showcases the ingenuity found in the world of organic chemistry!

Synonyms
BRN 1115399
4-ISOTHIAZOLECARBOXYLIC ACID, 5-CHLORO-3-METHYL-, 2-(DIETHYLAMINO)ETHYL ESTER
23310-71-6
DTXSID90177871
5-Chloro-3-methyl-4-isothiazolecarboxylic acid 2-(diethylamino)ethyl ester
RefChem:293677
DTXCID50100362