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3-Oxo-2-phenylbutanenitrile

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Identification
Molecular formula
C10H9NO
CAS number
33494-80-3
IUPAC name
3-oxo-2-phenyl-butanenitrile
State
State

At room temperature, 3-oxo-2-phenylbutanenitrile is typically in a solid state.

Melting point (Celsius)
42.00
Melting point (Kelvin)
315.15
Boiling point (Celsius)
337.00
Boiling point (Kelvin)
610.15
General information
Molecular weight
159.18g/mol
Molar mass
159.1840g/mol
Density
1.0600g/cm3
Appearence

3-Oxo-2-phenylbutanenitrile appears as a colorless to pale yellow crystalline solid. It is typically a compound that can form crystals, which may appear slightly different depending on the method and conditions of crystallization.

Comment on solubility

Solubility of 3-oxo-2-phenyl-butanenitrile

3-oxo-2-phenyl-butanenitrile, known for its unique structure and reactivity, exhibits varying levels of solubility in different solvents. Here are some key points regarding its solubility:

  • Polar Solvents: This compound tends to be more soluble in polar solvents such as methanol, ethanol, and water due to the presence of the nitrile group, which can engage in hydrogen bonding.
  • Non-Polar Solvents: In contrast, solubility decreases significantly in non-polar solvents like hexane or benzene. The reason for this is the lack of interactions between the compound and the solvent molecules.
  • Temperature Effects: As with many organic compounds, increased temperature often results in higher solubility. It's important to perform solubility tests at a range of temperatures to fully understand the behavior of 3-oxo-2-phenyl-butanenitrile.

In summary, the solubility of 3-oxo-2-phenyl-butanenitrile is primarily influenced by polarity, with a notable preference for polar solvents. Experimentation may reveal additional insights into its behavior in various conditions.

Interesting facts

Interesting Facts About 3-oxo-2-phenyl-butanenitrile

3-oxo-2-phenyl-butanenitrile is an intriguing compound that has garnered interest in various fields of chemistry. Here are some interesting facts:

  • Structure and Functionality: This compound features an oxo group and a phenyl group, making it a part of the versatile class of ketones. The presence of the nitrile group enhances its reactivity, allowing it to participate in various chemical reactions.
  • Applications in Synthesis: Due to its electrophilic nature, 3-oxo-2-phenyl-butanenitrile can serve as a key intermediate in synthetic pathways, especially in producing pharmaceuticals and agrochemicals.
  • Reactivity: The compound often undergoes nucleophilic additions and can be used to create more complex molecules, making it valuable in organic synthesis.
  • Research Significance: Many researchers are exploring its potential in drug design and development, as the modifications to its structure can lead to new and improved therapeutic agents.
  • Multi-faceted Chemistry: The reaction pathways that can involve 3-oxo-2-phenyl-butanenitrile include condensation reactions, reductions, and substitutions, making it a compound with a rich chemistry.

As a chemical scientist, understanding compounds like 3-oxo-2-phenyl-butanenitrile lays the groundwork for future discoveries in chemical reactivity and applications in various industries. Its structural features grant it an exceptional capability to form new compounds through creative synthetic strategies.

In words of a seasoned chemist, “the beauty of organic synthesis lies in the potential of each compound to unlock a world of possibilities.”

Synonyms
2-Phenylacetoacetonitrile
alpha-Acetylphenylacetonitrile
Benzeneacetonitrile, alpha-acetyl-
Phenyl aceto-acetonitrile
APAAN
Phenylacetoacetonitrile
alpha-Acetylbenzeneacetonitrile
Benzeneacetonitrile, .alpha.-acetyl-
EINECS 224-737-4
BRN 0743161
AI3-16132
NSC-11777
NSC-25183
NSC-55206
Alpha Acetyl phenyl acetonitrile
302PX39407
DEA NO. 8512
DTXSID70863402
UNII-302PX39407
4-10-00-02776 (Beilstein Handbook Reference)
ALPHA-PHENYLACETOACETONILTRILE
UN3439
.ALPHA.-ACETYLPHENYLACETONITRILE
DTXCID80812027
khnwftmubkjwrz-uhfffaoysa-n
4468-48-8
3-Oxo-2-phenylbutanenitrile
alpha-Phenylacetoacetonitrile
Acetonitrile, phenylaceto
USAF PE-1
Acetoacetonitrile, 2-phenyl-
1-Cyano-1-phenyl-2-propanone
NSC 25183
120065-76-1
a-acetylphenylacetonitrile
ACETONITRILE, 2-ACETYL-2-PHENYL-
NSC 11777
NSC 55206
2-Oxo-1-phenylpropyl cyanide
2-Acetyl-2-phenylacetonitrile
.alpha.-Phenylacetoacetonitrile
Acetoacetonitrile, .alpha.-phenyl-
.alpha.-Aceto-.alpha.-cyanotoluene
.alpha.-Tolunitrile, .alpha.-acetyl-
WLN: NCYR&V1
alpha-Aceto-alpha-cyanotoluene
Acetoacetonitrile, alpha-phenyl-
alpha-Tolunitrile, alpha-acetyl-
Phenyl-acetyl-acetonitril
?-Acetylphenylacetonitrile
3-Oxo-2-phenylbutyronitrile
3-oxo-2-phenyl-butyronitrile
Oxazolidine (Technical Grade)
3-Oxo-2-phenylbutanenitrile #
SCHEMBL1720075
BCP22916
NSC11777
NSC25183
NSC55206
STK209023
AKOS000265517
AKOS016039333
CS11344
FA17161
FA53573
NCGC00338636-01
AC-20360
AS-13532
DB-049923
NS00047590
C22826
AB01330629-02
Alpha-Phenylacetoacetonitrile, 1mg/ml in Methanol
Q2113282
a-Acetyl-benzeneacetonitrile;3-Oxo-2-phenylbutanenitrile;1-Cyano-1-phenylpropan-2-one