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3-tert-butyl-5-chloro-6-methyluracil

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Identification
Molecular formula
C9H13ClN2O2
CAS number
103977-32-2
IUPAC name
3-tert-butyl-5-chloro-6-methyl-1H-pyrimidine-2,4-dione
State
State

The compound is a solid at room temperature. It exists in a stable crystalline form which does not readily sublimate or decompose under standard laboratory conditions.

Melting point (Celsius)
156.70
Melting point (Kelvin)
429.85
Boiling point (Celsius)
350.50
Boiling point (Kelvin)
623.65
General information
Molecular weight
231.67g/mol
Molar mass
231.6740g/mol
Density
1.3745g/cm3
Appearence

3-tert-butyl-5-chloro-6-methyluracil typically appears as a crystalline solid. The appearance can vary from colorless to slightly yellow depending on purity and specific sample condition. The structural features of the compound, including the tert-butyl and chloro groups, contribute to its distinctive appearance.

Comment on solubility

Solubility of 3-tert-butyl-5-chloro-6-methyl-1H-pyrimidine-2,4-dione

The solubility of 3-tert-butyl-5-chloro-6-methyl-1H-pyrimidine-2,4-dione in various solvents can be quite interesting and is influenced by several factors:

  • Polarity: As a pyrimidine derivative, its solubility may vary significantly in polar versus non-polar solvents. For example, it tends to dissolve better in polar solvents due to the presence of functional groups that can engage in hydrogen bonding.
  • Temperature: Increasing the temperature typically enhances solubility for solids. Therefore, heating the solvent may lead to improved dissolution of this compound.
  • pH Levels: The solubility of certain compounds can be influenced by the acidity or basicity of the environment. Adjustments to the pH could help optimize solubility for reactions or pharmaceutical applications.
  • Concentration: In saturated solutions, the solubility remains constant despite further addition of the compound, which is an important consideration when preparing concentrated solutions.

To summarize, the solubility of 3-tert-butyl-5-chloro-6-methyl-1H-pyrimidine-2,4-dione is determined by its molecular structure and the characteristics of the solvent system. Knowing the optimal conditions for dissolution can significantly enhance its practical applications in both research and industry.

Interesting facts

Interesting Facts about 3-tert-butyl-5-chloro-6-methyl-1H-pyrimidine-2,4-dione

3-tert-butyl-5-chloro-6-methyl-1H-pyrimidine-2,4-dione is a notable compound within the realm of organic chemistry, particularly due to its intriguing structure and potential applications. Here are some key points that highlight the importance and uniqueness of this compound:

  • Structural Characteristics: The compound features a pyrimidine ring, which is a six-membered heterocyclic structure containing nitrogen atoms. The presence of tert-butyl, chlorine, and methyl groups not only impacts the compound's properties but also influences its reactivity and interaction with other chemical species.
  • Biological Relevance: Compounds like 3-tert-butyl-5-chloro-6-methyl-1H-pyrimidine-2,4-dione can exhibit biological activities, making them valuable in pharmaceutical research. Their derivatives are often explored for anti-inflammatory and antimicrobial properties.
  • Synthetic Utility: This pyrimidine derivative can serve as a building block in the synthesis of more complex organic molecules. The functional groups attached to the ring allow for various pathways in organic synthesis, which can lead to the discovery of novel compounds.
  • Potential Applications: Research surrounding such compounds often leads to potential applications in agrochemicals and medicinal chemistry, showcasing the importance of studying structurally diverse compounds in trends towards green chemistry and sustainable practices.
  • Research Avenues: The exploration of different substituents on the pyrimidine core can lead to insights into structure-activity relationships, which is essential in optimizing compounds for desired biological activity.

The study of 3-tert-butyl-5-chloro-6-methyl-1H-pyrimidine-2,4-dione represents a fascinating intersection of organic chemistry and medicinal research, where the intricate balance of molecular structure and function holds promise for future scientific discoveries. As you dive deeper into the realm of heterocycles, remember that each modification can unveil new properties and applications!

Synonyms
TERBACIL
5902-51-2
Caswell No. 821A
Terbacil [ISO]
Terbacil [ANSI:BSI:ISO]
3-tert-butyl-5-chloro-6-methyl-1H-pyrimidine-2,4-dione
HSDB 1418
3-tert-butyl-5-chloro-6-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
EINECS 227-595-1
Herbicide 732
EPA Pesticide Chemical Code 012701
BRN 0643054
DTXSID8024317
UNII-S0017J6E25
TERBACIL [HSDB]
TERBACIL [MI]
Sinbar 80W (Salt/Mix)
S0017J6E25
DPX-D732
DTXCID104317
5-24-07-00036 (Beilstein Handbook Reference)
Terbacil (ANSI:BSI:ISO)
5-Chloro-3-(1,1-dimethylethyl)-6-methyl-pyrimidinedione
terbacyl
Turbsvil
DuPont Herbicide 732
3tButyl5chloro6methyluracil
3tertButyl5chloro6methyluracil
5Chloro3tertbutyl6methyluracil
3tert.Butyl5chlor6methyluracil
3-tert-butyl-5-chlor-6-methyluracil
USEPA/OPP Pesticide Code: 012701
3-tert-Butyl-5-Chlor-6-Methyluracil (German)
5902-51-2_x000D_
2,4(1H,3H)Pyrimidinedione, 5chloro3(1,1dimethylethyl)6methyl
5Chloro3(1,1dimethylethyl)6methyl2,4(1H,3H)pyrimidinedione
227-595-1
3-tert-butyl-5-chloro-6-methyluracil, 5-chloro-3-(1,1-dimethylethyl)-6-methyl-2,4(1H,3H)-pyrimidinedione
nbqcnzyjjmbdky-uhfffaoysa-n
Turbacil
Geonter
Sinbar
3-tert-Butyl-5-chloro-6-methyluracil
Compound 732
Du Pont 732
Du Pont herbicide 732
Experimental herbicide 732
Uracil, 3-tert-butyl-5-chloro-6-methyl-
5-Chloro-3-tert-butyl-6-methyluracil
3-tert.Butyl-5-chlor-6-methyluracil
5-Chloro-3-(1,1-dimethylethyl)-6-methyl-2,4(1H,3H)-pyrimidinedione
2,4(1H,3H)-Pyrimidinedione, 5-chloro-3-(1,1-dimethylethyl)-6-methyl-
CHEBI:9447
Terbacil 10 microg/mL in Isooctane
3-tert-butyl-5-chloro-6-methylpyrimidine-2,4(1H,3H)-dione
3-(tert-Butyl)-5-chloro-6-methylpyrimidine-2,4(1H,3H)-dione
CAS-5902-51-2
3-t-Butyl-5-chloro-6-methyluracil
3-tert.Butyl-5-chlor-6-methyluracil [German]
ChemDiv2_000511
SCHEMBL53799
CHEMBL1901822
SCHEMBL23302272
HMS1370H05
FAA90251
Tox21_201244
Tox21_300831
STK874197
AKOS001022252
NCGC00163865-01
NCGC00163865-02
NCGC00163865-03
NCGC00163865-04
NCGC00163865-05
NCGC00254735-01
NCGC00258796-01
CS-0236047
NS00009250
Terbacil, PESTANAL(R), analytical standard
EN300-16676
G48282
SR-01000445711
Q2404316
SR-01000445711-1
Z56754343
3-tert-Butyl-5-chloro-6-methyl-2,4(1H,3H)-pyrimidinedione #