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Parabanic acid

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Identification
Molecular formula
C5H6N4O2
CAS number
611-56-9
IUPAC name
3a,6a-dimethyl-1,3,4,6-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
State
State

Parabanic acid is typically a solid at room temperature. As a chemical compound, it is stable under normal conditions but should be handled with care to avoid unnecessary exposure.

Melting point (Celsius)
220.00
Melting point (Kelvin)
493.15
Boiling point (Celsius)
295.00
Boiling point (Kelvin)
568.15
General information
Molecular weight
142.12g/mol
Molar mass
142.1170g/mol
Density
1.0600g/cm3
Appearence

Parabanic acid appears as a white crystalline powder. It is often noted for its ability to form distinct crystals which can be transparent to translucent.

Comment on solubility

Solubility of 3a,6a-dimethyl-1,3,4,6-tetrahydroimidazo[4,5-d]imidazole-2,5-dione

The solubility of 3a,6a-dimethyl-1,3,4,6-tetrahydroimidazo[4,5-d]imidazole-2,5-dione can be quite intriguing due to its structural characteristics. A few key aspects to consider include:

  • Polarity: The presence of multiple nitrogen atoms in the ring structure contributes to its polarity, which can influence its solubility in various solvents.
  • Solvent Interaction: This compound is likely to exhibit better solubility in polar solvents, such as water and methanol, due to hydrogen bonding potential and dipole interactions.
  • Temperature Dependency: As with many organic compounds, solubility may increase with temperature; hence, elevated temperatures can enhance the dissolution rates.
  • Crystalline Structure: The specific arrangement and tight packing of its molecular structure can impact the ease of solvation, which may sometimes result in limited solubility.

In practical applications, understanding the solubility profile of this compound is crucial for its utilization in pharmaceutical formulations and other related fields. While specific numerical solubility values may not always be readily available, qualitative assessments of solubility in various media can provide insight into its potential applications.

Ultimately, the solubility of 3a,6a-dimethyl-1,3,4,6-tetrahydroimidazo[4,5-d]imidazole-2,5-dione is a complex interplay of structural features and environmental conditions, making it an exciting compound for study.

Interesting facts

Interesting Facts about 3a,6a-Dimethyl-1,3,4,6-tetrahydroimidazo[4,5-d]imidazole-2,5-dione

This unique compound is a fascinating example of a bicyclic structure in organic chemistry, offering numerous intriguing features:

  • Unique Structure: The compound contains an imidazole framework, which is notable for its presence in many biological molecules, including histidine and various alkaloids.
  • Versatile Applications: Compounds with this type of structure have potential applications in pharmaceuticals, particularly as antitumor agents or other therapeutic agents due to their biological activity.
  • Mechanistic Insights: Its synthesis and reactivity can provide insights into the mechanisms of organic transformations involving heterocyclic compounds.
  • Dimethyl Substitution Effects: The dimethyl groups at positions 3a and 6a can significantly influence the compound's reactivity and interaction with biological systems, showcasing the impact of substituents on chemical behavior.

In summary, 3a,6a-dimethyl-1,3,4,6-tetrahydroimidazo[4,5-d]imidazole-2,5-dione represents a rich area for research, linking structural chemistry with pharmacological applications. Its complex architecture not only challenges synthetic chemists but also sparks curiosity about its function and potential in drug discovery. As one researcher noted, "the intricate dance of atoms in this compound reveals the beauty of chemical interactions and the endless possibilities of organic synthesis."

Synonyms
Diacetyldiurein
28115-25-5
3a,6a-Dimethylglycoluril
7,8-Dimethylglycoluril
P9OC7CR7DS
NSC-16614
Imidazo(4,5-d)imidazole-2,5(1H,3H)-dione, tetrahydro-3a,6a-dimethyl-
TETRAHYDRO-3A,6A-DIMETHYLIMIDAZO(4,5-D)IMIDAZOLE-2,5(1H,3H)-DIONE
RefChem:1099683
Diacetyl diurea
GLYCOLURIL, 3a,6a-DIMETHYL-
3a,6a-dimethyltetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione
3a,6a-dimethyl-1,3,4,6-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
3a,6a-dimethylperhydroimidazo[4,5-d]imidazole-2,5-dione
NSC 16614
BRN 0141752
NSC16614
Glycoluril,6a-dimethyl-
Maybridge1_005364
UNII-P9OC7CR7DS
Oprea1_273036
0-26-00-00445 (Beilstein Handbook Reference)
SCHEMBL9717712
SCHEMBL13527600
HMS556L18
DTXSID90182389
CCG-47171
SBB088404
STK868204
AKOS003197263
ML 00405
DS-001103
CS-0336059
SR-01000636812-1
Imidazo[4,5(1H,3H)-dione, tetrahydro-3a,6a-dimethyl-
1,5-dimethyl-2,4,6,8-tetraazabicyclo [3,3,0]-octane-3,7-dione
Imidazo[4,5-d]imidazole-2,5(1h,3h)-dione,tetrahydro-3a,6a-dimethyl-
3a,6a-dimethyl-1,3,4,6,3a,6a-hexahydro-1,3,4,6-tetraazapentalene-2,5-dione
rel-(3ar,6ar)-3a,6a-Dimethyltetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione
68374-68-5
InChI=1/C6H10N4O2/c1-5-6(2,9-3(11)7-5)10-4(12)8-5/h1-2H3,(H2,7,9,11)(H2,8,10,12