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3-Methylisoquinoline-4-carbonitrile

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Identification
Molecular formula
C11H8N2
CAS number
3430-16-4
IUPAC name
3-methylisoquinoline-4-carbonitrile
State
State
At room temperature, 3-methylisoquinoline-4-carbonitrile is a solid, typically existing in a crystalline form. Its solid state contributes to its stability and ease of handling in laboratory and industrial applications.
Melting point (Celsius)
96.00
Melting point (Kelvin)
369.15
Boiling point (Celsius)
353.00
Boiling point (Kelvin)
626.15
General information
Molecular weight
168.20g/mol
Molar mass
168.1960g/mol
Density
1.1560g/cm3
Appearence
3-Methylisoquinoline-4-carbonitrile typically appears as a white to light yellow crystalline powder. The crystals may vary slightly in color depending on purity and other factors. It has a distinct aromatic structure, characteristic of cyano-substituted heterocyclic compounds.
Comment on solubility

Solubility of 3-methylisoquinoline-4-carbonitrile

3-methylisoquinoline-4-carbonitrile, with the chemical formula C11H8N2, exhibits *moderate solubility characteristics*. Here are some key points to consider:

  • Polarity: The presence of the carbonitrile group (-C≡N) contributes to the compound's polarity, which can enhance its solubility in polar solvents.
  • Solvent Systems: This compound may be soluble in polar protic solvents such as methanol and water, as well as in polar aprotic solvents like acetone and DMF.
  • Insolubility Consideration: Conversely, it is likely to be insoluble in non-polar solvents (e.g., hexane), which can be attributed to the lack of interactions with non-polar solvent molecules.
  • Practical Implications: Understanding the solubility behavior is crucial for applications such as crystallization, extraction, and synthesis.

Additionally, it is important to note that factors such as temperature and pressure can further influence solubility; thus, empirical testing is recommended when working with this compound in various solvent systems.

Interesting facts

Interesting Facts about 3-Methylisoquinoline-4-Carbonitrile

3-Methylisoquinoline-4-carbonitrile is a fascinating compound within the realm of organic chemistry, belonging to the larger class of isoquinoline derivatives. This compound exhibits several intriguing properties and potential applications, making it a notable subject of study for chemists.

Chemical Structure and Properties

This compound is characterized by its:

  • Isoquinoline backbone: 3-Methylisoquinoline-4-carbonitrile consists of a fused ring structure that provides unique reactivity and stability.
  • Substituents: The methyl group and the carbonitrile group influence its chemical behavior and interaction with other molecules.
  • Functional versatility: The presence of a cyano group (–C≡N) often lends itself to nucleophilic addition reactions, expanding its utility in synthetic applications.

Applications in Chemistry

This compound is more than just a chemical curiosity; it plays a significant role in various fields:

  • Pharmaceuticals: Isoquinoline derivatives have been investigated for their biological activities, including antimicrobial and anticancer properties.
  • Synthetic Intermediates: 3-Methylisoquinoline-4-carbonitrile serves as a precursor in the synthesis of more complex organic molecules.
  • Material Science: Due to its unique structure, it has potential applications in developing advanced materials or dyes.

Fascinating Insights

Moreover, the exploration of 3-methylisoquinoline-4-carbonitrile contributes to the understanding of:

  • Structure-Activity Relationships: Researchers can investigate how changes to the structure affect biological activity.
  • Reactivity Patterns: The behavior of the cyano group in diverse chemical scenarios enhances the compound’s appeal in synthetic chemistry.

In summary, 3-methylisoquinoline-4-carbonitrile is a compound rich in possibilities, making it a captivating subject for anyone interested in the intricacies of organic synthesis and medicinal chemistry. Its multifunctional character is one of the many reasons it continues to intrigue scientists and students alike.

Synonyms
4-cyano-3-methylisoquinoline
161468-32-2
3-methylisoquinoline-4-carbonitrile
3-methyl-4-Isoquinolinecarbonitrile
PKA Inhibitor XI
3-methyl-4-cyano-isoquinoline
SCHEMBL1773062
YSCK0779
DTXSID80274328
CHEBI:113554
SZWLGBJCLZDZBY-UHFFFAOYSA-N
HMS3229D21
HSCI1_000275
MFCD02179199
AKOS006277445
PD015779
DB-395230
HY-112330
CS-0045237
BRD-K94217587-001-01-1
Q27194450