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Allyl 2-cyanoacetate

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Identification
Molecular formula
C6H7NO2
CAS number
7415-01-6
IUPAC name
allyl 2-cyanoacetate
State
State

At room temperature, Allyl 2-cyanoacetate is a liquid state, and it has moderate volatility due to its relatively low boiling point.

Melting point (Celsius)
-50.00
Melting point (Kelvin)
223.15
Boiling point (Celsius)
220.00
Boiling point (Kelvin)
493.15
General information
Molecular weight
125.13g/mol
Molar mass
125.1270g/mol
Density
1.0330g/cm3
Appearence

Allyl 2-cyanoacetate is a colorless liquid with a distinct, pungent odor. It is a chemical compound typically used in organic synthesis and has a characteristic oily consistency.

Comment on solubility

Solubility of Allyl 2-Cyanoacetate

Allyl 2-cyanoacetate, with the chemical formula C6H7N1O2, presents an interesting profile regarding solubility. Here are key points to consider:

  • Solvent Compatibility: This compound is generally considered to be soluble in organic solvents such as ethanol, acetone, and chloroform, which allows it to be utilized effectively in various organic reactions.
  • Water Solubility: Allyl 2-cyanoacetate demonstrates limited solubility in water. This reduced affinity for aqueous solutions is primarily due to its hydrophobic allyl group.
  • Temperature Dependence: Like many organic compounds, its solubility can be affected by temperature, often increasing with higher temperatures in organic solvents.
  • Practical Considerations: As stated, “Understanding solubility is crucial for optimizing reactions.” For chemists working with allyl 2-cyanoacetate, knowing its solubility nuances aids in better planning and execution of experimental protocols.

In summary, while allyl 2-cyanoacetate is soluble in various organic solvents, its limited water solubility emphasizes the importance of selecting the right solvent to achieve desired outcomes in chemical reactions.

Interesting facts

Interesting Facts About Allyl 2-Cyanoacetate

Allyl 2-cyanoacetate is a fascinating compound that plays a significant role in organic chemistry due to its versatile reactivity and diverse applications. Here are some key points to consider:

  • Reactivity: The presence of both the allyl and cyano groups makes this compound highly reactive. It can participate in a variety of chemical reactions, including Nucleophilic substitutions and Michael additions.
  • Versatile Synthon: Allyl 2-cyanoacetate is often used as a synthon in the synthesis of complex molecules. Its structure allows chemists to create various derivatives that can lead to valuable products.
  • Pharmaceutical Relevance: This compound has been explored for its potential applications in the development of pharmaceuticals. Compounds derived from allyl 2-cyanoacetate have shown activity against certain types of diseases.
  • Synthetic Pathways: The compound can be synthesized through several methods, often utilizing simple starting materials. This makes it accessible for research and industrial applications alike.
  • Flavor and Fragrance: The allyl group contributes to the compound's potential usage in the flavor and fragrance industry, imparting desirable aromatic characteristics.

In summary, allyl 2-cyanoacetate stands out as a remarkable compound with a plethora of applications in organic synthesis and potential medicinal uses. As researchers continue to explore its properties, we can only expect more insights into its capabilities and the exciting chemistry it offers.

Synonyms
Allyl cyanoacetate
13361-32-5
Cyanoacetic Acid Allyl Ester
Acetic acid, cyano-, 2-propenyl ester
Cyanoacetic acid, allyl ester
prop-2-en-1-yl 2-cyanoacetate
EINECS 236-423-4
BRN 1905818
6A64N945D8
ACETIC ACID, CYANO-, ALLYL ESTER
DTXSID1065425
Acetic acid, 2-cyano-, 2-propen-1-yl ester
EC 236-423-4
DTXCID8034160
236-423-4
allyl 2-cyanoacetate
prop-2-enyl 2-cyanoacetate
MFCD00013817
ALLYLCYANOACETATE
Allyl cyanoacetate, 98%
cyanoacetic acid allylester
SCHEMBL338964
SCHEMBL9240191
UNII-6A64N945D8
AKOS000120678
BS-43808
SY032622
DB-042191
CS-0089685
NS00004745
EN300-17162
D74895
Z56896765
Allyl cyanoacetate, Lonza quality, >=99.0% (GC, KF)
InChI=1/C6H7NO2/c1-2-5-9-6(8)3-4-7/h2H,1,3,5H