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Theobromine

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Identification
Molecular formula
C7H8N4O2
CAS number
83-67-0
IUPAC name
1-methylpyrimidine-2,4-dione
State
State

At room temperature, theobromine is a solid. It remains stable at this state under normal environmental conditions, requiring elevated temperatures to convert to a gaseous form.

Melting point (Celsius)
290.00
Melting point (Kelvin)
563.00
Boiling point (Celsius)
290.00
Boiling point (Kelvin)
563.00
General information
Molecular weight
180.16g/mol
Molar mass
180.1640g/mol
Density
1.5050g/cm3
Appearence

Theobromine is a white, crystalline powder with a somewhat bitter taste. It is similar in appearance to caffeine, with which it is often associated, due to its presence in chocolate products. In pure form, it can appear as colorless to white crystals.

Comment on solubility

Solubility of 1-methylpyrimidine-2,4-dione

1-methylpyrimidine-2,4-dione, a compound known for its unique structure, exhibits interesting solubility properties that are important for various applications. The solubility of this compound can be influenced by several factors:

  • Polarity: As a methyl-substituted heterocyclic compound, 1-methylpyrimidine-2,4-dione possesses polar functional groups which enhance its solubility in polar solvents.
  • Solvent Choice: General trends indicate that 1-methylpyrimidine-2,4-dione is more soluble in:
    • Water
    • Alcohols
    • Aqueous acid and base solutions
  • Temperature: The solubility may increase with temperature, making higher temperatures favorable for dissolving this compound in various solvents.

Quotes from solubility studies highlight that “the presence of polar groups often dictates a compound's ability to dissolve in polar solvents.” Hence, understanding the solubility of 1-methylpyrimidine-2,4-dione is crucial for its application in synthetic pathways and pharmacological contexts. The compound shows considerable compatibility with typical organic solvents, which amplifies its utility in research and industrial settings.

Interesting facts

Exploring 1-Methylpyrimidine-2,4-Dione

1-Methylpyrimidine-2,4-dione, also known as 2,4-Dioxo-1-methylpyrimidine, is a fascinating compound that has garnered interest in various fields including medicinal chemistry and agricultural sciences. Here are some engaging facts about this intriguing compound:

  • Structure and Reactivity: The structure of 1-methylpyrimidine-2,4-dione features a pyrimidine ring, which is a six-membered ring containing nitrogen atoms. This structure imparts unique reactivity, making it a versatile building block for synthetic chemistry.
  • Biological Significance: Compounds related to 1-methylpyrimidine-2,4-dione are often explored for their potential biological activity. Pyrimidine derivatives have been investigated for their roles in drug development, including antiviral and anticancer agents.
  • Versatile Intermediates: In organic synthesis, 1-methylpyrimidine-2,4-dione serves as an essential intermediate in the production of various bioactive molecules. Its ability to participate in reactions such as nucleophilic addition broadens its application in creating complex organic structures.
  • Research Applications: The study of this compound can lead to significant insights in fields such as pharmacology and agrochemistry. Researchers often focus on modifying its structure to enhance its properties and functionalities.
  • Simplified Synthesis: One of the appealing aspects of 1-methylpyrimidine-2,4-dione is the relative ease with which it can be synthesized. This allows chemists to explore various derivatives and their corresponding biological effects in a cost-effective manner.

I am particularly drawn to the potential of this compound in drug discovery, where small structural modifications can lead to vastly different biological outcomes. Studying these dynamics not only enhances our understanding of chemical behavior but also opens doors to new therapeutic possibilities.

In conclusion, 1-methylpyrimidine-2,4-dione showcases the intricate relationship between chemical structure and biological activity, reinforcing its importance in both academic research and practical applications in industry.

Synonyms
1-METHYLURACIL
615-77-0
1-methylpyrimidine-2,4(1H,3H)-dione
1-Methyl-2,4(1H,3H)-pyrimidinedione
1-methylpyrimidine-2,4-dione
Uracil, 1-methyl-
NSC 44432
N1-METHYLURACIL
4ZB2484Q0M
NSC-44432
UNII-4ZB2484Q0M
CHEBI:69445
DTXSID90210474
1-METHYL-1H,3H-PYRIMIDINE-2,4-DIONE
Uracil, 1-methyl-(8CI)
DTXCID90132965
1-methyl uracil
inchi=1/c5h6n2o2/c1-7-3-2-4(8)6-5(7)9/h2-3h,1h3,(h,6,8,9
pseudothymine
pseudothymine (van)
xbcxjkghpabgsd-uhfffaoysa-n
2,4(1H,3H)-Pyrimidinedione, 1-methyl-
MFCD00038666
NSC44432
1-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CHEMBL4797970
1-methyl-1h-pyrimidine-2,4-dione
1-Methyluracil, 99%
SCHEMBL35355
SCHEMBL12677264
HMS1741M02
BCP07466
2,3H)-Pyrimidinedione, 1-methyl-
BBL100079
BDBM50549810
GEO-01979
STL511064
AKOS001204335
AT19346
CS-W011165
SB57615
BS-22717
SY056678
1-Methyl-2,4(1H,3H)-pyrimidinedione #
DB-053936
pyrimidine-2,4(1H,3H)-dione, 1-methyl-
EN300-23560
pyrimidine, 1,2-dihydro-4-hydroxy-1-methyl-2-oxo-
Q27137782
F2185-0048
Z154666196