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2-(3,4-dihydroisoquinolin-2-ylmethylene)malononitrile

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Identification
Molecular formula
C13H9N3
CAS number
26102-44-5
IUPAC name
2-(3,4-dihydro-1H-isoquinolin-2-ylmethylene)propanedinitrile
State
State

This compound exists as a solid at room temperature.

Melting point (Celsius)
186.00
Melting point (Kelvin)
459.15
Boiling point (Celsius)
375.00
Boiling point (Kelvin)
648.15
General information
Molecular weight
193.23g/mol
Molar mass
193.2110g/mol
Density
1.1600g/cm3
Appearence

2-(3,4-dihydroisoquinolin-2-ylmethylene)malononitrile is typically a yellow to light orange powder.

Comment on solubility

Solubility of 2-(3,4-dihydro-1H-isoquinolin-2-ylmethylene)propanedinitrile

The solubility of 2-(3,4-dihydro-1H-isoquinolin-2-ylmethylene)propanedinitrile can be quite intriguing given its unique chemical structure. Understanding how this compound interacts with various solvents is crucial for applications in fields like pharmacology and materials science.

Factors Influencing Solubility

Several factors can influence the solubility of this compound:

  • Polarity: Being a nitrile, the presence of multiple cyano groups can affect its overall polarity, making it more soluble in polar solvents.
  • Hydrogen Bonding: The structure may participate in hydrogen bonding, which can further enhance its solubility in specific solvents like alcohols.
  • Temperature: Increasing the temperature usually increases solubility for many compounds, and this is likely true for propanedinitriles.
  • pH Levels: The ionization of functional groups in different pH conditions can significantly affect solubility.

Potential Solvents

While specific solubility data may be limited, we can hypothesize potential interactions with common solvents:

  • Water: Limited solubility expected due to hydrophobic segments.
  • Ethyl Alcohol: Likely to exhibit moderate solubility owing to both polar and non-polar characteristics.
  • DMSO: This solvent could dissolve the compound efficiently due to its strong solvating properties.

In conclusion, the solubility of 2-(3,4-dihydro-1H-isoquinolin-2-ylmethylene)propanedinitrile is affected by various factors, making it crucial to study its behavior in different environments for optimal use.

Interesting facts

Exploring 2-(3,4-dihydro-1H-isoquinolin-2-ylmethylene)propanedinitrile

2-(3,4-dihydro-1H-isoquinolin-2-ylmethylene)propanedinitrile, a complex molecule, presents intriguing properties and potential applications in various fields of science. This compound is noteworthy for its structural characteristics and chemical behavior, offering a fascinating blend of chemistry and pharmacology.

Key Characteristics and Applications

  • Structural Features: The compound includes an isoquinoline moiety, which is notable for its role in medicinal chemistry. Isoquinoline derivatives are often explored for their biological activities, including anti-cancer and anti-inflammatory properties.
  • Dinitrile Functionality: The presence of dinitrile groups enhances the compound’s reactivity and versatility in organic synthesis. Dinitriles act as valuable intermediates in the synthesis of various agrochemicals and pharmaceuticals.
  • Biological Potential: Compounds that incorporate isoquinoline structures have been studied for a range of bioactivities. The potential for 2-(3,4-dihydro-1H-isoquinolin-2-ylmethylene)propanedinitrile to exhibit unique biological effects makes it an exciting subject for investigation in drug development.
  • Synthetic Pathways: The synthesis of this compound may involve multi-step organic reactions, showcasing the intricacies of modern synthetic chemistry. Understanding these pathways can enhance laboratory skills and knowledge of reaction mechanisms.

In summary, 2-(3,4-dihydro-1H-isoquinolin-2-ylmethylene)propanedinitrile stands out not just for its structural elegance but also for its potential in advancing scientific research. As noted by many chemists, "The beauty of chemistry lies in its complexity," and this compound embodies that complexity with its unique interactions and properties.

Synonyms
6687-82-7
NSC 85626
BRN 1684679
MALONONITRILE, ((3,4-DIHYDRO-2(1H)-ISOQUINOLYL)METHYLENE)-
((3,4-Dihydro-2(1H)-isoquinolyl)methylene)malononitrile
Propanedinitrile, ((3,4-dihydro-2(1H)-isoquinolinyl)methylene)-
[(3,4-Dihydro-2(1H)-isoquinolyl)methylene]malononitrile
Propanedinitrile, ((3,4-dihydro-2(1H)-isoquinolinyl)methylene)-(9CI)
2-((3,4-dihydroisoquinolin-2(1H)-yl)methylene)malononitrile
NSC85626
[(3,4-Dihydroisoquinolin-2(1H)-yl)methylene]malononitrile
DTXSID90985493
NSC-85626
WLN: T66 CNT&J C1UYCN&CN
AKOS003608833
SR-01000006112
SR-01000006112-1
Malononitrile,4-dihydro-2(1H)-isoquinolyl)methylene]-
F0418-0008
Propanedinitrile,4-dihydro-2(1H)-isoquinolinyl)methylene]-
[(3,4-Dihydroisoquinolin-2(1H)-yl)methylidene]propanedinitrile