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Benzodioxole chalcone cyanide

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Identification
Molecular formula
C11H6N2O2
CAS number
3726-73-8
IUPAC name
2-(1,3-benzodioxol-5-ylmethylene)propanedinitrile
State
State

Solid at room temperature.

Melting point (Celsius)
145.00
Melting point (Kelvin)
418.15
Boiling point (Celsius)
345.79
Boiling point (Kelvin)
618.94
General information
Molecular weight
196.18g/mol
Molar mass
196.1820g/mol
Density
1.2830g/cm3
Appearence

A yellow powder with a crystalline appearance.

Comment on solubility

Solubility of 2-(1,3-benzodioxol-5-ylmethylene)propanedinitrile

The solubility of 2-(1,3-benzodioxol-5-ylmethylene)propanedinitrile in various solvents presents an intriguing profile that reflects its unique chemical structure. This compound includes functional groups that influence its interaction with solvents, leading to differing solubility behaviors.

In general, you can expect the following solubility characteristics:

  • Polar Solvents: The presence of the nitrile groups can enhance solubility in polar solvents such as water, methanol, and acetonitrile. These solvents can stabilize the compound through hydrogen bonding and dipole-dipole interactions.
  • Non-polar Solvents: Conversely, the compound may exhibit low solubility in non-polar solvents like hexane or toluene, as the aromatic and heterocyclic components do not favor interactions with non-polar environments.
  • Temperature Dependency: Solubility can be further affected by temperature; generally, an increase in temperature tends to enhance solubility in both polar and non-polar solvents.

It is noteworthy that the compound's solubility can be described as “site-specific,” where the solvation dynamics are contingent upon the solvent polarity and the interaction sites within the molecule. Understanding the solubility behavior of this compound can provide crucial insights for its applications and further chemical investigations.

Interesting facts

Interesting Facts about 2-(1,3-benzodioxol-5-ylmethylene)propanedinitrile

2-(1,3-benzodioxol-5-ylmethylene)propanedinitrile is a fascinating compound that captures the interest of scientists and chemistry enthusiasts alike for multiple reasons:

  • Structure and Functionality: This compound features a unique bifunctional structure that includes both a benzodioxole moiety and nitrile groups. The presence of the benzodioxole segment often suggests potential applications in fields like organic synthesis and material science.
  • Biological Significance: Compounds containing both dioxole and nitrile groups have shown bioactivity, making them of great interest in medicinal chemistry. Research is ongoing to explore the pharmacological properties associated with this compound.
  • Versatile Intermediate: Due to its multifunctional nature, it can be utilized as a versatile intermediate in various organic reactions, allowing for the synthesis of more complex molecules.
  • Chemical Reactivity: The nitrile groups in the compound can undergo reactions such as hydrolysis or nucleophilic attack, making it an intriguing subject of study for those interested in reactivity and mechanistic pathways.
  • Material Science Applications: With ongoing research, compounds like this are being explored for their potential applications in the development of polymers and other materials due to their rigidity and the stability of the nitrile groups.

As you delve into the world of 2-(1,3-benzodioxol-5-ylmethylene)propanedinitrile, consider its broad spectrum of potential applications and the innovative pathways it opens for further chemical exploration. As one researcher aptly noted, “Every compound, no matter how simple, has a story waiting to be uncovered.” This compound is no exception!

Synonyms
2972-82-9
Piperonylidenemalononitrile
2-(Benzo[d][1,3]dioxol-5-ylmethylene)malononitrile
Propanedinitrile, 2-(1,3-benzodioxol-5-ylmethylene)-
(Benzo[3,4-d]1,3-dioxolan-5-ylmethylene)methane-1,1-dicarbonitrile
MALONONITRILE, (PIPERONYLIDENE)-
2-(1,3-benzodioxol-5-ylmethylidene)propanedinitrile
AC2BZ3JS4G
NSC-1340
NSC-521577
2-(2H-1,3-benzodioxol-5-ylmethylidene)propanedinitrile
2-[(2H-1,3-benzodioxol-5-yl)methylidene]propanedinitrile
NSC 1340
NSC 521577
BRN 0181717
Propanedinitrile,2-(1,3-benzodioxol-5-ylmethylene)-
MFCD00022987
Maybridge1_007110
UNII-AC2BZ3JS4G
Oprea1_083830
Oprea1_282990
5-19-07-00480 (Beilstein Handbook Reference)
CHEMBL78005
BDBM4330
SCHEMBL3369590
HMS561L04
DTXSID50183872
NSC1340
AWMFEYQOEQDZKO-UHFFFAOYSA-N
NSC521577
STK028870
AKOS000266877
benzylidenemalononitrile (BMN) deriv. 14
FB169463
DB-047637
CS-0318187
G77471
2-Benzo[1,3]dioxol-5-ylmethylene-malononitrile
(1,3-benzodioxol-5-ylmethylidene)propanedinitrile
2-(1,3-Benzodioxol-5-ylmethylene)propanedinitrile
2X-0244
2-(1,3-Benzodioxol-5-Ylmethylene)-Propanedinitrile
(Benzo[3,4-d]1,3-dioxolan-5-ylmethylene)-methane-1,1-dicarbonitrile