1-Benzyl-2,4,6(1H,3H,5H)-pyrimidinetrione(CAS: 91360-95-1)

CAS Number
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Basic Information
Molecular Formula
C11H10N2O3
Molecular Weight
218.21 g/mol
Physical Properties
Boiling Point
°Cat760mmHg
Density
1.352±0.06 g/cm3 (20 ºC 760 Torr),
Flash Point
°C
Chemical Identifiers
SMILES
C1C(=O)NC(=O)N(C1=O)CC2=CC=CC=C2
InChIKey
BNYPOQLJBPNQOW-UHFFFAOYSA-N
Database References
MDL Number
MFCD00104232
FAQ
1-Benzyl-2,4,6(1H,3H,5H)-pyrimidinetrione is a solid with a crystalline form. Its molecular weight is approximately 245.28 g/mol. It has low solubility in water but is more soluble in organic solvents like ethanol and acetonitrile. It is moderately reactive towards nucleophiles and can undergo condensation reactions. It does not undergo hydrolysis under normal conditions.
1-Benzyl-2,4,6(1H,3H,5H)-pyrimidinetrione is usually synthesized by the condensation of benzylamine and acetylacetone. The reaction is typically catalyzed by anhydrous aluminum chloride and is carried out in reflux conditions. The yield is generally around 70-80%, and the process involves good selectivity towards the desired product.
1-Benzyl-2,4,6(1H,3H,5H)-pyrimidinetrione is primarily used in the pharmaceutical industry for the synthesis of various drug intermediates. It is also utilized in the polymer industry for the preparation of functionalized polymers and in the semiconductor industry as a precursor for organic thin films.
When handling 1-Benzyl-2,4,6(1H,3H,5H)-pyrimidinetrione, it is important to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a laboratory coat. It should be stored in a cool, dry place away from direct sunlight and flammable materials. Spills should be cleaned up using appropriate absorbents, and the area should be well-ventilated. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal procedures.
Safety Notice
Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.
Always follow proper handling procedures
Contact Information
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