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Isobutyl 2-cyanoacetate

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Identification
Molecular formula
C8H13NO2
CAS number
1119-48-2
IUPAC name
isobutyl 2-cyanoacetate
State
State

In its pure form, isobutyl 2-cyanoacetate is a liquid at room temperature.

Melting point (Celsius)
-60.00
Melting point (Kelvin)
213.15
Boiling point (Celsius)
216.40
Boiling point (Kelvin)
489.55
General information
Molecular weight
141.18g/mol
Molar mass
141.1780g/mol
Density
0.9450g/cm3
Appearence

Isobutyl 2-cyanoacetate is a colorless liquid. It has a fruity odor and is used in the flavor and fragrance industry. It appears as a clear and transparent liquid under normal conditions.

Comment on solubility

Solubility of Isobutyl 2-cyanoacetate

Isobutyl 2-cyanoacetate (C7H13NO2) is an intriguing compound when it comes to its solubility characteristics. It serves as a key intermediate in various chemical reactions and its solubility can be influenced by several factors, including polarity and molecular structure.

Key Solubility Insights:

  • Polarity: Isobutyl 2-cyanoacetate exhibits moderate polarity due to the presence of both a cyano group and an ester functional group. This polarity affects its solubility in various solvents.
  • Solvent Affinity: It is generally soluble in organic solvents such as ethanol, methanol, and acetone, which facilitate its use in organic synthesis.
  • Water Solubility: This compound has limited solubility in water due to its relatively hydrophobic isobutyl group, which can hinder interactions with water molecules.
  • Temperature Effects: Like many organic compounds, an increase in temperature can enhance solubility, leading to better dissolution in chosen solvents.

In summary, the solubility of isobutyl 2-cyanoacetate is predominantly governed by its molecular structure and the interactions with various solvents. Its solubility profile underscores its versatility and importance in organic chemistry.

Interesting facts

Interesting Facts about Isobutyl 2-Cyanoacetate

Isobutyl 2-cyanoacetate is a fascinating compound that belongs to the class of cyanoacetic acid derivatives. Its unique structure and properties offer a range of interesting applications and implications in various fields of chemistry:

  • Synthetic Versatility: Isobutyl 2-cyanoacetate is renowned for its utility in organic synthesis, particularly in the preparation of α-amino acids and other important nitrogen-containing compounds.
  • Pharmaceutical Insights: This compound plays a key role in medicinal chemistry, where it can be used as a precursor for the synthesis of biologically active molecules. Its derivatives have shown potential in treating various conditions.
  • Applications in Material Science: Due to its reactive cyano group, isobutyl 2-cyanoacetate can participate in polymerization reactions, making it useful in the development of advanced materials and coatings.
  • Flavor and Fragrance Industry: Interestingly, compounds like isobutyl 2-cyanoacetate can exhibit fruity or floral scents, finding applications in creating flavors and fragrances.
  • Environmental Considerations: As with many synthetic compounds, understanding its environmental impact is crucial. Research into its degradation pathways and safe disposal methods is ongoing.

Overall, isobutyl 2-cyanoacetate serves as a prime example of how a single compound can bridge multiple fields, demonstrating the interdisciplinary nature of modern chemistry.

As the famous chemist Linus Pauling once said, "Chemistry is the science of connection," and isobutyl 2-cyanoacetate certainly exemplifies this idea by connecting various realms of study and application.

Synonyms
Isobutyl cyanoacetate
13361-31-4
Isobutyl 2-cyanoacetate
2-methylpropyl 2-cyanoacetate
Acetic acid, cyano-, 2-methylpropyl ester
Cyanoacetic Acid Isobutyl Ester
Cyanoacetic acid, isobutyl ester
ID1WNZ1D0S
EINECS 236-422-9
BRN 1761677
ACETIC ACID, CYANO-, ISOBUTYL ESTER
Acetic acid, 2-cyano-, 2-methylpropyl ester
DTXSID6065424
ACETIC ACID, CYANO-, ISO-BUTYL ESTER
DTXCID9034159
236-422-9
Isobutyryl cyanoacetate
cyanoacetic acid 2-methylpropyl ester
UNII-ID1WNZ1D0S
2-Methylpropyl cyanoacetate
MFCD00044320
Cyanoacetic isobutyl ester
SCHEMBL2530416
BCP12770
SBB061950
STL183299
AKOS015915498
BS-11774
CS-0207346
NS00024298
F71285
Q27280664
F0001-0446