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Allobarbital

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Identification
Molecular formula
C10H12N2O2
CAS number
52-43-7
IUPAC name
5-allyl-5-(1-methylbutyl)-2-sulfanyl-1H-pyrimidine-4,6-dione
State
State

At room temperature, Allobarbital is typically in a solid state, appearing as a crystalline powder.

Melting point (Celsius)
149.00
Melting point (Kelvin)
422.15
Boiling point (Celsius)
480.00
Boiling point (Kelvin)
753.15
General information
Molecular weight
238.34g/mol
Molar mass
238.3370g/mol
Density
1.1400g/cm3
Appearence

Allobarbital typically appears as a white, odorless crystalline powder. The purity and specific characteristics can depend on the particular method of synthesis and any impurities that may be present.

Comment on solubility

Solubility of 5-allyl-5-(1-methylbutyl)-2-sulfanyl-1H-pyrimidine-4,6-dione

The solubility of 5-allyl-5-(1-methylbutyl)-2-sulfanyl-1H-pyrimidine-4,6-dione (C10H12N2O2) can be characterized by a few key points:

  • Polarity: The compound contains a pyrimidine ring and various functional groups, which can lead to a moderate polarity. This polarity often influences solubility in different solvents.
  • Solvents: It is likely to be soluble in organic solvents such as:
    • Dimethyl sulfoxide (DMSO)
    • Acetonitrile
    • Alcohols (e.g., ethanol, methanol)
  • Water Solubility: The solubility in water may be limited due to the hydrophobic character imparted by the butyl group.
  • Temperature Dependency: As with many organic compounds, solubility may increase with temperature, making higher temperatures beneficial for dissolution.

As a general rule, like dissolves like; therefore, the relatively non-polar regions of this compound will limit its solubility in polar solvents such as water. Researchers should visually assess and perform solubility tests in appropriate organic solvents to ascertain optimal conditions for solution preparation.

Interesting facts

Exploring 5-Allyl-5-(1-methylbutyl)-2-sulfanyl-1H-pyrimidine-4,6-dione

5-Allyl-5-(1-methylbutyl)-2-sulfanyl-1H-pyrimidine-4,6-dione is a fascinating compound that belongs to the class of pyrimidine derivatives. These compounds are known for their diverse biological activities and applications in medicinal chemistry. Here are some interesting facts about this particular compound:

  • Biorole: Pyrimidine derivatives are often studied for their potential pharmaceutical properties. Many have been found to exhibit significant antiviral, antitumor, and anti-inflammatory activities.
  • Synthesis: The unique structure of this compound allows for interesting synthetic pathways. One could explore various reactions to introduce the allyl and methylbutyl groups effectively, making it a valuable subject for synthetic organic chemistry.
  • Functional Groups: The presence of a sulfanyl (-SH) group is particularly notable, as thiol groups are known for their reactivity and versatility in organic reactions. This might suggest potential pathways in which the compound can act as a nucleophile or participate in redox reactions.
  • Structure-Activity Relationship: The presence of substituents like allyl and 1-methylbutyl may influence the biological activity of the compound. Understanding how these structural features relate to its activity offers exciting avenues for research.
  • Natural Occurrence: Some pyrimidine derivatives are found in nature as part of nucleic acids. This compound's synthesis could also be inspired by or lead to the creation of derivatives that mimic crucial biological molecules.

In summary, 5-allyl-5-(1-methylbutyl)-2-sulfanyl-1H-pyrimidine-4,6-dione presents a promising domain for further investigation within the realms of organic and medicinal chemistry. With its intriguing structure and potential activities, it exemplifies how modifications in molecular architecture can lead to new compounds with valuable properties.