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3-(benzofuran-2-yl)-3-oxo-propanenitrile

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Identification
Molecular formula
C11H7NO2
CAS number
83857-96-3
IUPAC name
3-(benzofuran-2-yl)-3-oxo-propanenitrile
State
State

At room temperature, 3-(benzofuran-2-yl)-3-oxo-propanenitrile is normally in a solid state.

Melting point (Celsius)
96.10
Melting point (Kelvin)
369.25
Boiling point (Celsius)
310.50
Boiling point (Kelvin)
583.65
General information
Molecular weight
185.17g/mol
Molar mass
185.1710g/mol
Density
1.2195g/cm3
Appearence

3-(Benzofuran-2-yl)-3-oxo-propanenitrile typically appears as a crystalline solid. The crystals are usually off-white to pale yellow in color. Its appearance might vary slightly based on purity and form.

Comment on solubility

Solubility of 3-(benzofuran-2-yl)-3-oxo-propanenitrile

The solubility of 3-(benzofuran-2-yl)-3-oxo-propanenitrile can be intriguing due to its unique structure. Here are some key points to consider:

  • Polar and Nonpolar Properties: Given the presence of both benzofuran and cyano functional groups, the compound exhibits a balance of polar and nonpolar characteristics, which can influence its solubility in different solvents.
  • Solvent Compatibility: The solubility may vary significantly between:
    • Polar solvents (e.g., water, methanol): Approximately moderate solubility due to hydrogen bonding potential.
    • Nonpolar solvents (e.g., hexane, toluene): Likely better solubility due to the hydrophobic nature of the benzofuran ring.
  • Temperature Influence: In many cases, increasing the temperature leads to enhanced solubility, particularly in solid-state forms.
  • pH Sensitivity: If applicable, the solubility might be affected by pH changes, especially if the compound can ionize under certain conditions.

In conclusion, while 3-(benzofuran-2-yl)-3-oxo-propanenitrile may display varied solubility in different environments, understanding its structural intricacies can provide insights into maximizing its application based on solvent choice.

Interesting facts

Interesting Facts about 3-(Benzofuran-2-yl)-3-oxo-propanenitrile

3-(Benzofuran-2-yl)-3-oxo-propanenitrile is a fascinating compound that exemplifies the intricate nature of organic chemistry. Here are some intriguing aspects about this compound:

  • Structural Complexity: This compound features a unique structure that combines elements of both a nitrile and a ketone, showcasing the versatility of organic molecules in forming diverse functional groups.
  • Biological Relevance: Compounds that contain benzofuran units are often studied for their potential biological activities. They can act as precursors to various pharmaceuticals and have been investigated for their anti-inflammatory and analgesic properties.
  • Synthetic Applications: The methods employed to synthesize 3-(Benzofuran-2-yl)-3-oxo-propanenitrile can serve as valuable templates for the development of other complex organic molecules, enabling advancements in drug discovery and development.
  • Chemical Reactivity: The presence of the carbonyl group (–C=O) and the nitrile group (–C≡N) makes this compound reactive under various conditions, allowing it to participate in nucleophilic addition reactions which are crucial in organic synthesis.
  • Potential in Material Science: The intriguing properties of compounds containing benzofuran derivatives open doors to their use in material science, including the development of luminescent materials, which could have applications in OLED technology.

In the realm of chemistry, exploration of unique compounds like 3-(Benzofuran-2-yl)-3-oxo-propanenitrile not only leads to greater understanding but also sparks innovation across various scientific fields. As we continue to investigate such compounds, we move closer to unlocking their full potential in both medicinal chemistry and materials development.

Synonyms
3-(1-benzofuran-2-yl)-3-oxopropanenitrile
beta-Oxo-2-benzofuranpropanenitrile
888-634-1
5149-69-9
2-Cyanoacetylcoumarone
3-(Benzofuran-2-yl)-3-oxopropanenitrile
BENZOFURAN, 2-CYANOACETYL-
USAF KF-4
2-Benzo-furanacetonitrile
BRN 0146419
2-Benzofuranpropionitrile, beta-oxo-
2-Benzofuranpropanenitrile, beta-oxo-
cyanoacetylcoumarone
MFCD00047286
4-18-00-05598 (Beilstein Handbook Reference)
SCHEMBL136089
-Oxo-2-benzofuranpropanenitrile
DTXSID70199470
|A-Oxo-2-benzofuranpropanenitrile
FAA14969
AKOS000116878
BD-0229
DB-071360
CS-0062611
EN300-09471
E70467
Z56346968