356566-57-9

Basic information

• Product Name: 1,2,3,4-Tetrahydro-6-methyl-4-(4-nitrophenyl)-2-oxo-5-pyrimidinecarboxylic acid
• Synonyms: 1,2,3,4-Tetrahydro-6-methyl-4-(4-nitrophenyl)-2-oxo-5-pyrimidinecarboxylic acid;6-Methyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid
• CAS NO: 356566-57-9
• Molecular Formula: C₁₂H₁₁N₃O₅
• Molecular Weight: 277.23
• Mol File: 356566-57-9.mol

Chemical Properties

• Boiling Point: 489.5°C at 760 mmHg
• Flash Point: 249.8°C
• Appearance: /
• Density: 1.439g/cm³
• Vapor Pressure: 2.14E-10mmHg at 25°C
• Refractive Index: 1.609
• CAS DataBase Reference: 1,2,3,4-Tetrahydro-6-methyl-4-(4-nitrophenyl)-2-oxo-5-pyrimidinecarboxylic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 1,2,3,4-Tetrahydro-6-methyl-4-(4-nitrophenyl)-2-oxo-5-pyrimidinecarboxylic acid(356566-57-9)
• EPA Substance Registry System: 1,2,3,4-Tetrahydro-6-methyl-4-(4-nitrophenyl)-2-oxo-5-pyrimidinecarboxylic acid(356566-57-9)

Safety Data

• Hazardous Substances Data: 356566-57-9(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Research:
1,2,3,4-Tetrahydro-6-methyl-4-(4-nitrophenyl)-2-oxo-5-pyrimidinecarboxylic acid is used as a research compound for its potential pharmacological activity. The nitrophenyl group may contribute to its interaction with biological targets, suggesting possible applications in the development of new drugs.
Used in Chemical Research:
In the chemical industry, 1,2,3,4-Tetrahydro-6-methyl-4-(4-nitrophenyl)-2-oxo-5-pyrimidinecarboxylic acid is used as a precursor in the synthesis of various chemical entities. Its carboxylic acid group provides opportunities for further chemical modifications, enhancing its utility in creating novel molecules with specific applications.
Used in Drug Development:
1,2,3,4-Tetrahydro-6-methyl-4-(4-nitrophenyl)-2-oxo-5-pyrimidinecarboxylic acid is utilized as a lead compound in drug development. Its structure may be optimized to enhance its therapeutic potential, targeting specific diseases or conditions by modulating biological pathways.
Used in Biochemical Studies:
1,2,3,4-Tetrahydro-6-methyl-4-(4-nitrophenyl)-2-oxo-5-pyrimidinecarboxylic acid is also used in biochemical studies to explore its binding affinity to proteins or other biomolecules. Understanding these interactions can provide insights into its mechanism of action and potential applications in biological systems.
Overall, 1,2,3,4-Tetrahydro-6-methyl-4-(4-nitrophenyl)-2-oxo-5-pyrimidinecarboxylic acid is a versatile chemical entity with a wide range of potential applications across different scientific disciplines, primarily driven by its unique structural features and the possibility of its involvement in various biological processes.

InChI:InChI=1/C12H11N3O5/c1-6-9(11(16)17)10(14-12(18)13-6)7-2-4-8(5-3-7)15(19)20/h2-5,10H,1H3,(H,16,17)(H2,13,14,18)

Upstream product

• 541-50-4 2-acetoacetic acid 
• 555-16-8 4-nitrobenzaldehdye 
• 57-13-6 urea 
• 205999-89-9 methyl 6-methyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate 
• 898798-67-9 6-methyl-4-(4-nitro-phenyl)-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid 2-cyano-ethyl ester 
• 674-82-8 4-methyleneoxetan-2-one 
• 2440-60-0 2-methyl-isourea 

Downstream Products

• 296267-03-3 6-methyl-4-(4-nitro-phenyl)-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid cyclopentyl ester 
• 295344-04-6 6-methyl-4-(4-nitro-phenyl)-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid 2-ethylsulfanyl-ethyl ester 
• 123371-45-9 ethyl 6-methyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate 
• 205999-89-9 methyl 6-methyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate 

Relevant articles and documents

Synthesis method of 3,4-dihydropyrimidin-2-ketone compounds catalyzed by ionic liquid at room temperature

The present invention discloses a synthesis method of 3,4-dihydropyrimidin-2-ketone compounds catalyzed by ionic liquid at room temperature. Key technology is as follows: nano-silicon-loaded bronsted acid functional group ionic liquid is used as a catalys

Identification and characterization of 4-aryl-3,4-dihydropyrimidin-2(1H)-ones as inhibitors of the fatty acid transporter FATP4

Several potent, cell permeable 4-aryl-dihydropyrimidinones have been identified as inhibitors of FATP4. Lipophilic ester substituents at the 5-position and substitution at the para-position (optimal groups being -NO2 and CF3) of the 4-aryl group led to active compounds. In two cases racemates were resolved and the S enantiomers shown to have higher potencies.

Solid-Phase Synthesis of Dihydropyrimidones via N-Acyliminium Ion-Based α-Ureidoalkylations

The synthesis of 4-aryl-2-(thioxo)oxo-3,4-dihydropyrimidine-5-carboxylic acids is reported using two orthogonal solid-phase variations of the Biginelli condensation. In the first method, polymer-bound β-ketoesters are treated with aromatic aldehydes and urea under acidic conditions. The transient N-acyliminium ion that is initially formed from the aldehyde and urea precursors, is then intercepted by the resin-bound β-ketoesters. In an alternative approach, resin-bound β-ketoesters are condensed with aldehydes and O-methylisourea under basic conditions. Both orthogonal condensation procedures provide fair to excellent overall yields of the desired target structures.