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Dicyclopentadiene derivative

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Identification
Molecular formula
C13H18N2O3
CAS number
129-64-6
IUPAC name
5-(cyclohexen-1-yl)-5-ethyl-hexahydropyrimidine-2,4,6-trione
State
State

At room temperature, this compound is usually in a solid state.

Melting point (Celsius)
138.00
Melting point (Kelvin)
411.15
Boiling point (Celsius)
348.00
Boiling point (Kelvin)
621.15
General information
Molecular weight
144.15g/mol
Molar mass
144.1530g/mol
Density
1.2990g/cm3
Appearence

This compound typically appears as a colorless crystalline powder.

Comment on solubility

Solubility of 5-(cyclohexen-1-yl)-5-ethyl-hexahydropyrimidine-2,4,6-trione

The solubility of 5-(cyclohexen-1-yl)-5-ethyl-hexahydropyrimidine-2,4,6-trione with the molecular formula C13H18N2O3 can be quite complex due to its unique structure. Solubility is influenced by several factors including molecular interactions, polarity, and the solvent in which the compound is placed.

Factors Affecting Solubility:

  • Polarity: The presence of multiple functional groups in the compound can create areas of polarity, which enhance its solubility in polar solvents.
  • Hydrogen Bonding: Potential hydrogen bonding between the compound and solvent molecules can also increase solubility.
  • Molecular Size: The relatively large size of the molecule may hinder solubility in certain solvents.

In general, this compound has the potential to be soluble in:

  • Polar solvents: Such as water and methanol, where interactions can occur due to polar groups.
  • Some organic solvents: Like ethanol and acetone, which may help dissolve the compound due to similar polarity.

However, its solubility will be limited in non-polar solvents due to a lack of favorable interactions. Thus, it is crucial to consider the solvent choice when attempting to dissolve this compound for various applications.

Interesting facts

Exploring 5-(Cyclohexen-1-yl)-5-ethyl-hexahydropyrimidine-2,4,6-trione

5-(Cyclohexen-1-yl)-5-ethyl-hexahydropyrimidine-2,4,6-trione is a fascinating compound that presents numerous interesting aspects for both students and chemists alike. This compound belongs to the pyrimidine family, which is well-known for its versatility in biological and medicinal applications.

Key Highlights:

  • Structural Diversity: The presence of a cyclohexenyl group introduces unique stereochemistry and reactivity, often leading to interesting derivatization opportunities.
  • Biological Significance: Compounds similar to this pyrimidine can exhibit various biological activities, making them potential candidates in drug discovery and development.
  • Reactivity: The hexahydropyrimidine core can participate in multiple reaction types, including nucleophilic substitutions and cycloadditions, which broadens its utility in synthetic chemistry.

Interestingly, compounds featuring hexahydropyrimidinetrione structures are often studied for:

  1. Their ability to act as enzyme inhibitors.
  2. Potential roles as building blocks in polymer chemistry.
  3. Applications in the synthesis of agrochemicals.

As a student or researcher, one might find it insightful to explore the synthetic routes to obtain this compound, as they often involve multistep reactions that can enhance one’s understanding of organic transformations. The balance of stability and reactivity in such molecules provides an exciting avenue for experimental chemistry.

In summary, 5-(cyclohexen-1-yl)-5-ethyl-hexahydropyrimidine-2,4,6-trione is more than just a complex name; it is a gateway to understanding essential principles of organic chemistry and the potential it holds in various scientific fields.

Synonyms
CYCLOBARBITAL
Cyclobarbitone
Hexemal
Ethylhexabital
52-31-3
Tetrahydrophenobarbital
Cyclodorm
Fanodormo
Phanodorm
Philodorm
Pralumin
Sonaform
Amnosed
Cavonyl
Irifan
Namuron
Palinum
Adorm
Pro-Sonil
Ciclobarbital
Cyclobarbitol
Cyclobarbiton
Cyclobarbitonum
Cyklodorm
Phanodorn
Hexemalum
Cyclobarbitalum
Cyclobarbital [INN]
5-(1-Cyclohexen-1-yl)-5-ethylbarbituric acid
Cyclohexenyl-ethyl barbituric acid
Ciclobarbital [INN-Spanish]
Cyclobarbitalum [INN-Latin]
Cyclobarbitone [BAN]
5-Ethyl-5-cyclohexenylbarbituric acid
5-(1-Cyclohexenyl)-5-ethylbarbituric acid
EINECS 200-138-3
Ciclobarbital (TN)
Cyclobarbital [INN:BAN:NF]
Zyklohexenylaethylbarbitursaeure
0M8A98AD9H
Cyclobarbital (INN)
5-(1-Cyclohexen-1-yl)-5-ethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
CYCLOBARBITAL [MI]
Barbituric acid, 5-(1-cyclohexen-1-yl)-5-ethyl-
2,4,6-(1H,3H,5H)-Pyrimidinetrione, 5-(1-cyclohexen-1-yl)-5-ethyl-
CYCLOBARBITAL [MART.]
CYCLOBARBITAL [WHO-DD]
Cyclohexal
DTXSID9022865
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-cyclohexen-1-yl)-5-ethyl-
Fanodorm
Praelumin
Sonoform
Cyclobarbital-Calcium
Ciclobarbital (INN-Spanish)
Cyclobarbitalum (INN-Latin)
CYCLOBARBITAL (MART.)
UNII-0M8A98AD9H
5-(cyclohexen-1-yl)-5-ethyl-1,3-diazinane-2,4,6-trione
BIDD:PXR0072
SCHEMBL157224
CHEMBL268164
DTXCID602865
SCHEMBL23533905
N05CA10
CHEBI:134957
DB13737
NS00004545
D07323
Q416966
5-Cyclohexenyl-5-A currencythyl-barbitursA currencyure
5-(cyclohex-1-en-1-yl)-5-ethyl-1,3-diazinane-2,4,6-trione
5-cyclohex-1-en-1-yl-5-ethylpyrimidine-2,4,6(1H,3H,5H)-trione
pyrimidine-2,4,6(1H,3H,5H)-trione, 5-(1-cyclohexen-1-yl)-5-ethyl-
200-138-3
InChI=1/C12H16N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h6H,2-5,7H2,1H3,(H2,13,14,15,16,17