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Allobarbital

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Identification
Molecular formula
C10H12N2O3
CAS number
52-43-7
IUPAC name
5,5-diallylhexahydropyrimidine-2,4,6-trione
State
State

Allobarbital is in a solid state at room temperature. It is generally stable in this form under normal conditions.

Melting point (Celsius)
184.00
Melting point (Kelvin)
457.00
Boiling point (Celsius)
518.60
Boiling point (Kelvin)
791.80
General information
Molecular weight
222.22g/mol
Molar mass
222.2470g/mol
Density
1.2780g/cm3
Appearence

Allobarbital is typically found as a white crystalline powder. It can appear as small crystals or a fine powder, which are odorless.

Comment on solubility

Solubility of 5,5-Diallylhexahydropyrimidine-2,4,6-trione

The solubility of 5,5-diallylhexahydropyrimidine-2,4,6-trione (C10H12N2O3) can be influenced by several factors, primarily its molecular structure and functional groups present. This compound features a complex heterocyclic ring, which may contribute to its solubility characteristics.

Key Factors Affecting Solubility:

  • Polarity: The presence of polar functional groups, such as carbonyls, can enhance solubility in polar solvents such as water.
  • Hydrophobic Regions: The alkyl side chains may impart hydrophobic tendencies, which could hinder solubility in aqueous solutions.
  • Temperature: Generally, higher temperatures tend to improve solubility for many organic compounds.
  • pH Levels: Being a nitrogen-containing compound, changes in pH may affect the ionization state of the molecule, thus influencing solubility.

In conclusion, while definitive solubility data may not be extensively reported for this compound, it is expected that its solubility will be moderate in polar solvents due to the balance between the hydrophilic and hydrophobic components. As always, empirical testing in varied solvent systems is essential to ascertain precise solubility behavior.

Interesting facts

Interesting Facts about 5,5-Diallylhexahydropyrimidine-2,4,6-trione

5,5-Diallylhexahydropyrimidine-2,4,6-trione is a fascinating compound that catches the attention of chemists due to its structural uniqueness and potential applications. Here are some compelling points about this intriguing molecule:

  • Structural Composition: This compound belongs to the class of pyrimidine derivatives, characterized by a six-membered ring structure that contains nitrogen atoms. The incorporation of *diallyl groups* enhances its reactivity and versatility in chemical processes.
  • Potential Applications: The trione functional groups within its structure make it a candidate for diverse applications, ranging from chemical synthesis to pharmaceuticals. It may serve as a precursor for various bioactive compounds.
  • Synthetic Pathways: Researchers are particularly interested in the methods employed to synthesize this compound. Its synthesis involves multi-step reactions, often showcasing the elegance and complexity of organic chemistry.
  • Biological Activity: While detailed studies may still be emerging, compounds with similar structural motifs often demonstrate *biological activities*, which can include anti-inflammatory or anti-cancer properties. The potential for 5,5-diallylhexahydropyrimidine-2,4,6-trione to contribute to medicinal chemistry is a topic of ongoing research.
  • Polymer Chemistry: The diallyl component suggests applications in polymer chemistry as well. It may participate in crosslinking reactions, forming networks that enhance the physical properties of materials.

In conclusion, 5,5-diallylhexahydropyrimidine-2,4,6-trione stands out not only for its unique chemical structure but also for its potential implications across various scientific fields. As researchers explore its properties and functions, this compound may lead to exciting advancements in chemistry and beyond.

Synonyms
ALLOBARBITAL
5,5-Diallylbarbituric acid
Allobarbitone
Diallylbarbital
52-43-7
Allylbarbitural
Diallymal
Barbidal
Alobarbital
Barballyl
Dormallyl
Novallyl
Curral
Diadol
Diallylbarbituric acid
Malilum
Alnox
Malil
Allbarbital
Dorm
Dial (barbiturate)
Dialog
Diallylbarbiturate
Diallymalum
NSC-9324
Allobarbitale
Allobarbitalum
Allobarbitale [DCIT]
5,5-Diallylbarbitursaeure
Barbituric acid, 5,5-diallyl-
Allobarbital [USAN:INN]
Allobarbitalum [INN-Latin]
NSC 9324
CCRIS 7087
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-di-2-propenyl-
Go 1058
EINECS 200-140-4
8NT43GG2HA
5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione
AI3-02725
5,5-Di-2-propenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
ALLOBARBITAL [MI]
ALLOBARBITAL [INN]
ALLOBARBITAL [USAN]
ALLOBARBITAL [MART.]
ALLOBARBITAL [WHO-DD]
DTXSID9022572
Allobarbitalum (INN-Latin)
ALLOBARBITAL (MART.)
diallylmal
Allobarbital (1.0mg/ml in Acetonitrile)
diallyl barbituric acid
UNII-8NT43GG2HA
Allybarbitural
Allobarbital; 5,5-Diallybarbituric acid; 5,5-Di-2-propenyl-2,4,6(1H,3H,5H)pyrimidinetrione; Allobarbitone; Dial
Allobarbital (USAN/INN)
Barbituric acid,5-diallyl-
SCHEMBL35976
CHEMBL267719
DTXCID102572
component of Dialog (Salt/Mix)
SCHEMBL15364694
N05CA21
NSC9324
5,5-DiallylbarbitursA currencyure
Allobarbital, 1mg/ml in Methanol
CHEBI:134875
5,5-DIALLYL-BARBITURIC ACID
Allobarbital 0.1 mg/ml in Methanol
Allobarbital 1.0 mg/ml in Methanol
STL453798
DB13577
WLN: T6VMVMV FHJ F2U1 F2U1
DB-052123
A0739
NS00001941
D02817
A829085
Q418905
5,5-Diallyl-2,4,6(1H,3H,5H)-pyrimidinetrione #
pyrimidine-2,4,6(1H,3H,5H)-trione, 5,5-diallyl-
2,6(1H,3H,5H)-Pyrimidinetrione, 5,5-di-2-propenyl-
5,5-bis(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-di-2-propen-1-yl-
5,5-diprop-2-en-1-ylpyrimidine-2,4,6(1H,3H,5H)-trione
2-hydroxy-5,5-di(prop-2-en-1-yl)pyrimidine-4,6(1H,5H)-dione
ALLOBARBITAL REG# - -
200-140-4
InChI=1/C10H12N2O3/c1-3-5-10(6-4-2)7(13)11-9(15)12-8(10)14/h3-4H,1-2,5-6H2,(H2,11,12,13,14,15