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Barbital

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Identification
Molecular formula
C12H16N2O3
CAS number
57-44-3
IUPAC name
5,5-diethyl-1-phenyl-hexahydropyrimidine-2,4,6-trione
State
State

At room temperature, barbital is in a solid state, specifically as a crystalline powder.

Melting point (Celsius)
191.00
Melting point (Kelvin)
464.15
Boiling point (Celsius)
330.00
Boiling point (Kelvin)
603.15
General information
Molecular weight
184.22g/mol
Molar mass
184.2150g/mol
Density
1.1502g/cm3
Appearence

Barbital typically appears as a white, crystalline powder. It is often odorless and has a bitter taste.

Comment on solubility

Solubility of 5,5-Diethyl-1-phenyl-hexahydropyrimidine-2,4,6-trione

The solubility of 5,5-diethyl-1-phenyl-hexahydropyrimidine-2,4,6-trione can be influenced by several key factors:

  • Polarity: As a compound with multiple functional groups, its solubility will vary significantly between polar and non-polar solvents.
  • Hydrogen Bonding: The presence of carbonyl groups (C=O) in its structure may allow for hydrogen bonding with polar solvents, enhancing solubility.
  • Temperature: Increased temperatures often lead to increased solubility for many organic compounds, thus it may dissolve better at elevated temperatures.
  • pH Sensitivity: The ionization state of the compound can change with pH, which may also influence its solubility.

In general terms, while some derivatives of hexahydropyrimidines exhibit limited solubility in water, they are often soluble in various organic solvents such as ethanol and dichloromethane. As a result, the solubility of this particular compound should be examined through experimental testing to give precise insights.

"Solubility is often dictated by the balance of intermolecular forces!" Thus, understanding these properties is crucial for predicting its behavior in different chemical environments.

Interesting facts

Interesting Facts about 5,5-Diethyl-1-phenyl-hexahydropyrimidine-2,4,6-trione

The compound 5,5-diethyl-1-phenyl-hexahydropyrimidine-2,4,6-trione is a fascinating member of the pyrimidine family, which is known for its diverse applications in various fields. Here are some compelling aspects of this compound:

  • Pyrimidine Derivative: As a derivative of pyrimidine, this compound has structural attributes making it valuable in medicinal chemistry, particularly in the development of pharmaceutical agents.
  • Biological Activity: Compounds that share similar structural features often exhibit interesting biological activities, making them subjects of research for potential therapeutic uses.
  • Synthetic Pathways: The synthesis of such complex molecules often involves innovative pathways. Understanding these routes enhances our knowledge regarding reaction mechanisms in organic chemistry.

One standout feature of this compound is its unique configuration that allows for intriguing chemical behavior. As a hexahydropyrimidine, it may exhibit chirality, influencing its interactions with biological targets. In medicinal chemistry, the ability to tailor a compound’s structure leads to:

  • Increased potency as a drug
  • Reduced side effects
  • Improved selectivity for certain biological mechanisms

A quote that encapsulates the importance of such compounds is: "In the world of chemistry, complexity can lead to simplicity in function." Understanding the nuances of this compound's structure could pave the way for new discoveries and innovations in drug design.

Additionally, the study of 5,5-diethyl-1-phenyl-hexahydropyrimidine-2,4,6-trione ties into broader themes in chemistry, such as the significance of carbon skeletons in forming various functionalities, which is pivotal for the field of organic synthesis. The exploration of this compound opens doors for discussions about:

  • The role of heterocycles in drug design
  • Mechanisms of action related to pyrimidine derivatives
  • Emerging synthetic techniques in organic chemistry

Overall, 5,5-diethyl-1-phenyl-hexahydropyrimidine-2,4,6-trione serves as an excellent example of how a single compound can embody the rich interconnections between structure, function, and application in the vast realm of chemistry.

Synonyms
Phetharbital
Phenetharbital
Pyrictal
Phenidiemal
Fedibaretta
Phenylbarbitone
357-67-5
N-Phenylbarbital
N-Phenylbarbitone
Phenidiemalum
Phenylbarbital
Fetarbital
Phetharbital [INN]
5,5-Diethyl-1-phenylbarbituric acid
Fetarbitale
Phetharbitalum
Fetarbitale [DCIT]
5,5-Diethyl-1-phenylbarbitone
Fetarbital [INN-Spanish]
Phetharbitalum [INN-Latin]
1-Phenyl-5,5-diethylbarbituric acid
5,5-diethyl-1-phenyl-1,3-diazinane-2,4,6-trione
EINECS 206-615-2
NSC 85043
NSC-85043
UNII-52HG53W51E
BRN 0243367
PHENARBUTAL
52HG53W51E
5,5-Diethyl-1-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
PHENETHARBITAL [MI]
MLS002694574
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-1-phenyl-
DTXSID30189216
BARBITURIC ACID, 5,5-DIETHYL-1-PHENYL-
4-24-00-01908 (Beilstein Handbook Reference)
NSC85043
Fetarbital (INN-Spanish)
Phetharbitalum (INN-Latin)
Phetharbitol
NCIOpen2_004971
SCHEMBL78655
CHEMBL93218
DTXCID60111707
CHEBI:135070
ILORKHQGIMGDFN-UHFFFAOYSA-N
Barbituric acid,5-diethyl-1-phenyl-
NCGC00246886-01
WLN: T6VMVNV FHJ DR & F2 F2
SMR001560499
NS00029912
Q7181486
2,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-1-phenyl-
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-1-phenyl-(9CI)
5,5-Diethyl-1-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione (9CI)
206-615-2