488798-38-5

Basic information

• Product Name: 5-Pyrimidinecarboxylic acid, 2-chloro-4-(4-fluorophenyl)-6-(1-methylethyl)-, methyl ester
• CAS NO: 488798-38-5
• Molecular Formula: C15H14ClFN2O2
• Molecular Weight: 308.74
• Mol File: 488798-38-5.mol
• Article Data: 4

Chemical Properties

• CAS DataBase Reference: 5-Pyrimidinecarboxylic acid, 2-chloro-4-(4-fluorophenyl)-6-(1-methylethyl)-, methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 5-Pyrimidinecarboxylic acid, 2-chloro-4-(4-fluorophenyl)-6-(1-methylethyl)-, methyl ester(488798-38-5)
• EPA Substance Registry System: 5-Pyrimidinecarboxylic acid, 2-chloro-4-(4-fluorophenyl)-6-(1-methylethyl)-, methyl ester(488798-38-5)

Safety Data

• Hazardous Substances Data: 488798-38-5(Hazardous Substances Data)

Upstream product

• 459-57-4 4-fluorobenzaldehyde 
• 42558-54-3 Methyl 4-methyl-3-oxopentanoate 

Downstream Products

• 1207460-23-8 (2-chloro-4-(4-fluorophenyl)-6-isopropylpyrimidin-5-yl)methanol 
• 147118-36-3 N-[4-(4-fluorophenyl)-5-(hydroxymethyl)-6-(propan-2-yl)pyrimidin-2-yl]-N-methylmethanesulfonamide 
• 160009-36-9 methyl 4-(4-fluorophenyl)-6-isopropyl-2-(methylamino)pyrimidine-5-carboxylate 
• 289042-11-1 methyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methanesulphonyl-N-methylamino)pyrimidine-5-carboxylate 
• 1263475-93-9 4-(4-fluorophenyl)-6-isopropyl-2-(methanesulfonyl(methyl)amino)pyrimidine-5-carboxylic acid 
• 1218994-92-3 methyl (4-(4-fluorophenyl)-6-isopropyl-2-(1-methyl-1H-1,2,4-triazol-5-yl)amino)pyrimidine-5-carboxylate 
• 1218994-94-5 4-(4-fluorophenyl)-6-isopropyl-2-(methyl(1-methyl-1H-1,2,4-triazol-5-yl)amino)pyrimidine-5-carbaldehyde 
• 1218994-93-4 (4-(4-fluorophenyl)-6-isopropyl-2-(methyl(1-methyl-1H-1,2,4-triazol-5-yl)amino)pyrimidine-5-yl)methanol 

Relevant articles and documents

Quantum Chemical Calculations (Ab Initio & DFT), Hirshfeld Surface Analysis, Crystal Structure and Molecular Docking Study of 2-Chloro-4-(4-fluoro-phenyl)-6-isopropyl-pyrimidine-5-carboxylic Acid Methyl Ester

Abstract: Pyrimidine derivatives are well-known nitrogen containing heterocyclic compound which play an important role in medicinal and pharmaceutical applications. The synthesized compound, 2-chloro-4-(4-fluoro-phenyl)-6-isopropyl-pyrimidine-5-carboxylic

Efficient Construction of the Nucleus of Rosuvastatin Calcium

A novel and efficient five-step synthetic route, including a Biginelli reaction, dehydrogenation, chlorination, sulfonamidation, and reduction, for the core of Rosuvastatin was established. All steps were systematically studied. Tert-butylhydroperoxide aqueous solution was applied in the dehydrogenation instead of nitric acid. N,N-dimethylaniline was employed as a catalyst to accelerate the chlorination proceeding smoothly, and its catalytic mechanism is discussed. In the sulfonamidation, the conversion of compound 5 was obviously improved by use of NaH and acetonitrile. In addition, two sulfonamidation side products 6 and 7 were detected and isolated. Thus, under the optimized reaction conditions, the target product was obtained in 60.4% total yield, much higher than the reported yield (36.4%).