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Isoproturon

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Identification
Molecular formula
C12H18N2O
CAS number
34123-59-6
IUPAC name
3-cyclooctyl-1,1-dimethyl-urea;1-methylprop-2-ynyl N-(3-chlorophenyl)carbamate
State
State

At room temperature, isoproturon is usually in a solid state, characterized by its crystalline structure.

Melting point (Celsius)
158.00
Melting point (Kelvin)
431.00
Boiling point (Celsius)
211.00
Boiling point (Kelvin)
484.00
General information
Molecular weight
231.28g/mol
Molar mass
231.7140g/mol
Density
0.9945g/cm3
Appearence

Isoproturon is typically found as a white crystalline solid. It may exhibit no distinctive odor, making it relatively unremarkable in terms of smell.

Comment on solubility

Solubility of 3-cyclooctyl-1,1-dimethyl-urea; 1-methylprop-2-ynyl N-(3-chlorophenyl)carbamate

The solubility of complex compounds like 3-cyclooctyl-1,1-dimethyl-urea and 1-methylprop-2-ynyl N-(3-chlorophenyl)carbamate can vary significantly based on several factors. Understanding their solubility is crucial for applications in chemical processes, formulations, and biological interactions.

Factors Influencing Solubility:

  • Polarity: The presence of polar functional groups can enhance solubility in polar solvents such as water. Conversely, non-polar sections tend to prefer organic solvents.
  • Hydrogen Bonding: Compounds capable of forming hydrogen bonds often exhibit higher solubilities in solvent systems where such interactions are favorable.
  • Molecular Size and Weight: Larger and heavier molecules might display reduced solubility due to steric hindrance and increased van der Waals forces.
  • Temperature: Increased temperatures typically enhance solubility for many compounds, with some exceptions where solubility decreases.

In the case of the mentioned compound, hydrogen bonding potential from both ureide and carbamate groups could suggest reasonable solubility in polar solvents like alcohols or dimethyl sulfoxide (DMSO). However, due to the bulkiness introduced by the cyclooctyl and methylpropynyl groups, one can anticipate limited solubility in more conventional solvent systems such as water.

As a general guideline, always consider conducting empirical solubility tests in various solvents to gain insight into the compound's behavior in specific applications.

Interesting facts

Interesting Facts about 3-Cyclooctyl-1,1-dimethyl-urea; 1-Methylprop-2-ynyl N-(3-chlorophenyl)carbamate

This compound consists of two main functional groups, which provide a rich area of study for chemists interested in organic synthesis and pharmacology. Often used in experimental pharmacology, it presents intriguing characteristics that make it a suitable candidate for further research and development. Here are some interesting insights:

  • Diverse Applications: Due to its unique structure, this compound has potential uses in both agrochemicals and pharmaceuticals. It may act as a pesticide or an herbicide, targeting specific enzymes in plant and insect systems.
  • Structural Insights: The presence of the cyclooctyl group introduces significant steric effects that can influence the compound's biological activity. Cyclooctyl is known for its ability to confer lipophilicity, which can enhance membrane permeability.
  • Interaction with Biological Targets: The 3-chlorophenyl segment might interact with various biological receptors, making this compound an interesting subject of study for drug design. Such halogenated phenyl groups often enhance binding affinities due to better fit within receptor sites.
  • Intriguing Synthesis Challenges: The synthesis of this compound could involve complex strategies that require advanced techniques in organic chemistry, such as coupling reactions or selective chlorination methods.
  • Research Significance: Exploring this compound can yield valuable insights into structure-activity relationships (SAR) in medicinal chemistry. Understanding how slight variations in the structure can affect activity could lead to the development of more effective drugs.

In conclusion, 3-cyclooctyl-1,1-dimethyl-urea; 1-methylprop-2-ynyl N-(3-chlorophenyl)carbamate serves not just as a compound of interest but also as a platform for innovation in chemical research. Its unique structure opens up numerous avenues for exploration that contribute to the ever-evolving landscape of chemical sciences.

Synonyms
ALIPUR
8015-55-2
but-3-yn-2-yl N-(3-chlorophenyl)carbamate;3-cyclooctyl-1,1-dimethylurea
Cyceuron plus chlorbufan
HS 55
BJ48RYG5ZF
Carbamic acid, (3-chlorophenyl)-, 1-methyl-2-propynyl ester, mixt. with N'-cyclooctyl-N,N-dimethylurea
DTXSID901001002
3-CYCLOOCTYL-1,1-DIMETHYL UREA MIXED WITH BUTYNYL-3N-3-
N'-Cyclooctyl-N,N-dimethylcarbamimidic acid--but-3-yn-2-yl hydrogen (3-chlorophenyl)carbonimidate (1/1)