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4-iodobut-2-ynyl N-octylcarbamate

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Identification
Molecular formula
C13H21INO2
CAS number
1980-54-7
IUPAC name
4-iodobut-2-ynyl N-octylcarbamate
State
State
The compound is a solid at room temperature. It typically forms a crystalline powder that is easy to handle and store. In laboratory settings, it is stable under standard conditions and does not readily evaporate or sublime.
Melting point (Celsius)
74.00
Melting point (Kelvin)
347.20
Boiling point (Celsius)
315.60
Boiling point (Kelvin)
588.80
General information
Molecular weight
387.22g/mol
Molar mass
387.2420g/mol
Density
1.2000g/cm3
Appearence

4-Iodobut-2-ynyl N-octylcarbamate appears as a light brown or off-white solid or powder. Its color may vary slightly depending on purity and sample size, but it typically maintains a consistent hue.

Comment on solubility

Solubility of 4-iodobut-2-ynyl N-octylcarbamate

The solubility of 4-iodobut-2-ynyl N-octylcarbamate can be characterized as relatively low in water but may exhibit varying solubility in organic solvents. This compound's unique structure contributes to its solubility properties in the following ways:

  • Polarity: The presence of the carbamate functional group does enhance polarity, which typically aids in solubility in polar solvents. However, the iodine atom and alkyl chains present in the structure create a complex that reduces overall solubility in water.

  • Organic Solvents: This compound is expected to dissolve well in non-polar and moderately polar organic solvents such as:
    • Hexane
    • Ethyl acetate
    • Dichloromethane

  • Temperature Effects: Like many organic compounds, solubility can increase with temperature, which can be crucial for applications involving this compound.

  • Miscibility: The long hydrophobic octyl chain may lead to limited miscibility with water, confirming that while certain interactions may occur, substantial dissolution is unlikely.

In summary, while 4-iodobut-2-ynyl N-octylcarbamate has some solubility advantages in organic solvents, its behavior in aqueous solutions may limit its application in contexts that require higher water solubility. Overall, understanding and optimizing the solubility parameters is key for successful incorporation into various formulations.

Interesting facts

Interesting Facts about 4-Iodobut-2-ynyl N-Octylcarbamate

The compound 4-iodobut-2-ynyl N-octylcarbamate is quite fascinating due to its unique structure and potential applications in various fields. Here are some interesting aspects:

  • Versatile Building Block: This compound serves as an important intermediate in organic synthesis, particularly in the production of pharmaceuticals and agrochemicals. Its unique functional groups enable various chemical reactions, making it a valuable asset in synthetic chemistry.
  • Biological Activity: Many carbamate derivatives exhibit significant biological activity. Researchers have found that compounds similar to N-octylcarbamate can act as inhibitors for certain enzymes, leading to potential therapeutic applications.
  • Targeted Delivery: The incorporation of a long carbon chain like octyl can enhance the lipophilicity of the compound, facilitating its ability to penetrate lipid membranes. This property is beneficial for drug design, allowing targeted delivery mechanisms to be developed for specific ailments.
  • Unique Reaction Pathways: The presence of the iodine atom contributes to the compound's reactivity, making it a suitable candidate for nucleophilic substitution reactions. This is particularly relevant in developing new synthetic pathways in organic chemistry.
  • Environmental Impact: As with many synthetic compounds, it is important to consider the environmental effects of 4-iodobut-2-ynyl N-octylcarbamate. Researchers are continually investigating eco-friendly alternatives and degradation pathways for such compounds to mitigate potential risks.

In summary, while 4-iodobut-2-ynyl N-octylcarbamate may not be the most common compound discussed in introductory chemistry classes, its intriguing properties and wide array of applications demonstrate the beauty of organic chemistry and its impact on real-world problems. As with all compounds, understanding its characteristics can unveil opportunities for innovation in science.

Synonyms
4-Iodo-2-butynyl octylcarbamate
BRN 2368307
CARBAMIC ACID, OCTYL-, 4-IODO-2-BUTYNYL ESTER
14225-19-5
DTXSID40161982
DTXCID1084473