Skip to main content

5-(2-Bromoallyl)-5-isopropylbarbituric acid

ADVERTISEMENT
Identification
Molecular formula
C12H16BrN2O3
CAS number
125-47-9
IUPAC name
5-(2-bromoallyl)-5-isopropyl-1-methyl-hexahydropyrimidine-2,4,6-trione
State
State

The compound is in a solid state at room temperature. It may exhibit polymorphism, meaning it can exist in more than one crystalline form, but is generally stable under standard storage conditions.

Melting point (Celsius)
90.00
Melting point (Kelvin)
363.15
Boiling point (Celsius)
285.00
Boiling point (Kelvin)
558.15
General information
Molecular weight
315.16g/mol
Molar mass
315.1580g/mol
Density
1.4000g/cm3
Appearence

5-(2-Bromoallyl)-5-isopropylbarbituric acid appears as a crystalline solid that can be white or off-white in color. The appearance might vary if any impurities are present. It is typically odorless or may have a very faint characteristic odor.

Comment on solubility

Solubility of 5-(2-bromoallyl)-5-isopropyl-1-methyl-hexahydropyrimidine-2,4,6-trione

The solubility of 5-(2-bromoallyl)-5-isopropyl-1-methyl-hexahydropyrimidine-2,4,6-trione can be influenced by several factors including its molecular structure, polarity, and the presence of functional groups. Here are some key points to consider:

  • Polarity: The presence of a bromoalkene and multiple carbonyl groups in the compound contributes to its polarity, which may influence its interaction with polar solvents.
  • Functional Groups: The carbonyl groups can engage in hydrogen bonding with water, potentially increasing solubility in polar solvents like water.
  • Alkyl Substituents: The isopropyl group may introduce some hydrophobic character, thereby affecting solubility in non-polar solvents.

As a result, this compound is expected to have variable solubility depending on the solvent:

  • More soluble in polar solvents such as ethanol and dimethyl sulfoxide (DMSO).
  • Potentially less soluble in non-polar solvents like hexane.

To conclude, while solubility can be an intricate property depending on the specific conditions, understanding the molecular characteristics of 5-(2-bromoallyl)-5-isopropyl-1-methyl-hexahydropyrimidine-2,4,6-trione is crucial for predicting its behavior in various environments.

Interesting facts

Interesting Facts about 5-(2-bromoallyl)-5-isopropyl-1-methyl-hexahydropyrimidine-2,4,6-trione

This compound belongs to a fascinating class of organic molecules known as hexahydropyrimidines, which are characterized by a six-membered ring containing nitrogen. The inclusion of multiple substituents, such as the bromo and isopropyl groups, adds intriguing properties and enhances its potential applications in various fields.

Chemical Structure Insights

The unique structure of this compound is notable for:

  • Versatility: The presence of the bromo and allyl groups can enhance the reactivity of the compound, making it useful in synthetic organic chemistry.
  • Allosteric Modulation: Certain hexahydropyrimidine derivatives have been studied for their ability to act as allosteric modulators in biological systems, potentially leading to novel therapeutic agents.
  • Biological Relevance: Compounds with similar frameworks have been investigated for their pharmacological properties, including anti-inflammatory and neuroprotective effects.

Applications and Potential Uses

There are several applications of this compound that may interest researchers:

  • Pharmaceutical Development: The modified ring structure can provide a template for designing new drugs.
  • Catalysis: Its chemical properties may render it effective as a catalyst in various reactions, especially in organic synthesis.
  • Material Sciences: Depending on its physical attributes, it could have applications in creating advanced materials.

In conclusion, the compound 5-(2-bromoallyl)-5-isopropyl-1-methyl-hexahydropyrimidine-2,4,6-trione exemplifies a rich area of study in organic chemistry. Its unique structure and potential applications make it a compound of interest for both academics and industry professionals alike.

Synonyms
Narcobarbital
Enibomal
Narcovene
Pronarcon
125-55-3
Narkotal
Narcovene S
Pronarkon
5-(2-Bromoallyl)-5-isopropyl-1-methylbarbituric acid
A77U8G9H84
NARCOBARBITAL [MI]
ENIBOMAL [WHO-DD]
5-(2-Bromallyl)-5-isopropyl-1-methylbarbitursaeure
1-Methyl-5-isopropyl-5-(2-bromoallyl)barbituric acid
5-(2-Bromoallyl)-1-methyl-5-isopropylbarbituric acid
Barbituric acid, 5-(2-bromoallyl)-5-isopropyl-1-methyl-
5-(2'-BROMALLYL)-5-ISOPROPYL-1-METHYLBARBITURIC ACID
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-bromo-2-propenyl)-1-methyl-5-(1-methylethyl)-
2,4,6(1H,3H,5H)-PYRIMIDINETRIONE, 5-(2-BROMO-2-PROPEN-1-YL)-1-METHYL-5-(1-METHYLETHYL)-
Narcotal
CHEBI:81294
Narcobarbital-d7
5-(2-bromoprop-2-enyl)-1-methyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione
Narcodorm
UNII-A77U8G9H84
SCHEMBL77712
CHEMBL92963
DTXSID30871609
WGMASVSHOSNKMF-UHFFFAOYSA-N
PXB95065
DB13229
FN26163
C17722
Q906241
5-(2-Bromoprop-2-en-1-yl)-1-methyl-5-(propan-2-yl)-1,3-diazinane-2,4,6-trione
5-(2-Bromo-2-propen-1-yl)-1-methyl-5-(1-methylethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione;5-(2-Bromoallyl)-5-isopropyl-1-methylbarbituri c acid;Enibomal