1263475-93-9

Basic information

• Product Name: 4-(4-fluorophenyl)-6-isopropyl-2-(methanesulfonyl(methyl)amino)pyrimidine-5-carboxylic acid
• Synonyms: 4-(4-fluorophenyl)-6-isopropyl-2-(methanesulfonyl(methyl)amino)pyrimidine-5-carboxylic acid
• CAS NO: 1263475-93-9
• Molecular Weight: 367.401
• Mol File: 1263475-93-9.mol

Chemical Properties

• Boiling Point: 532.5±60.0 °C(Predicted)
• Density: 1.376±0.06 g/cm3(Predicted)
• CAS DataBase Reference: 4-(4-fluorophenyl)-6-isopropyl-2-(methanesulfonyl(methyl)amino)pyrimidine-5-carboxylic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(4-fluorophenyl)-6-isopropyl-2-(methanesulfonyl(methyl)amino)pyrimidine-5-carboxylic acid(1263475-93-9)
• EPA Substance Registry System: 4-(4-fluorophenyl)-6-isopropyl-2-(methanesulfonyl(methyl)amino)pyrimidine-5-carboxylic acid(1263475-93-9)

Safety Data

• Hazardous Substances Data: 1263475-93-9(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Research and Development:
4-(4-fluorophenyl)-6-isopropyl-2-(methanesulfonyl(methyl)amino)pyrimidine-5-carboxylic acid is used as a research compound for its potential to inhibit certain enzymes or receptors in the body, which may contribute to the development of new therapeutic agents.
Used in the Treatment of Medical Conditions:
While further research is necessary to fully understand its pharmacological properties, 4-(4-fluorophenyl)-6-isopropyl-2-(methanesulfonyl(methyl)amino)pyrimidine-5-carboxylic acid may have potential applications in the treatment of specific medical conditions due to its ability to modulate biological targets.

Upstream product

• 289042-11-1 methyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methanesulphonyl-N-methylamino)pyrimidine-5-carboxylate 
• 147118-30-7 ethyl 2-(N-methyl-N-methanesulfonylamino)-4-(4-fluorophenyl)-6-isopropyl-pyrimidin-5-carboxylic acid 
• 1263475-92-8 C₁₉H₂₄FN₃O₄S 
• 42558-54-3 Methyl 4-methyl-3-oxopentanoate 
• 459-57-4 4-fluorobenzaldehyde 
• 1184-85-6 N-methylmethane sulphonamide 
• 488798-38-5 2-chloro-4-(4-fluoro-phenyl)-6-isopropyl-pyrimidine-5-carboxylic acid methyl ester 

Downstream Products

• 147118-36-3 N-[4-(4-fluorophenyl)-5-(hydroxymethyl)-6-(propan-2-yl)pyrimidin-2-yl]-N-methylmethanesulfonamide 
• 1333408-57-3 C₂₅H₂₆FN₃O₅S 
• 1333408-58-4 C₂₅H₂₆FN₃O₅S 
• 1333408-64-2 C₂₄H₂₃ClFN₃O₅S 
• 1333408-65-3 C₂₄H₂₂Cl₂FN₃O₅S 
• 1333408-68-6 C₂₄H₂₄FN₃O₅S 
• 1333408-77-7 C₂₅H₂₄FN₃O₄S 
• 1333408-78-8 C₂₅H₂₄FN₃O₄S 
• 1333408-79-9 C₂₄H₂₁BrFN₃O₄S 
• 1333408-80-2 C₂₄H₂₁ClFN₃O₄S 
• 1333408-82-4 C₂₄H₂₀Cl₂FN₃O₄S 
• 1333408-83-5 C₂₄H₂₂FN₃O₄S 

Relevant articles and documents

Stereocontrolled synthesis of rosuvastatin calcium via iodine chloride-induced intramolecular cyclization

A novel, stereoselective approach towards rosuvastatin calcium from the known (S)-homoallylic alcohol has been developed. The synthesis is highlighted by a regio- and stereocontrolled ICl-induced intramolecular cyclization of chiral homoallylic carbonate to deliver the C6-formyl statin side chain with a syn-1,3-diol moiety. An improved synthesis of the rosuvastatin pyrimidine core moiety is also included. Moreover, this methodology is useful in the asymmetric synthesis of structural variants of statins such as pitavastatin calcium and atorvastatin calcium and their related analogs.

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%).

Preparation method of rosuvastatin calcium intermediate

The invention provides a preparation method of a rosuvastatin calcium intermediate. The preparation method of the rosuvastatin calcium intermediate, namely, the compound shown as formula I in the description comprises the following steps: (1) a compound 5 shown as formula II in the description is generated from 4-fluorobenzaldehyde, methyl isobutyrylacetate and urea under the action of a catalyst; (2) a compound 6 shown as formula III in the description is generated from the compound 5 under the action of potassium persulfate as an oxidizing agent; (3) a compound 7 shown as formula IV in the description is generated from the compound 6, tosyl chloride and N-methyl methanesulfonamide under the action of a catalyst; (4) the target compound shown as the formula I is generated from the compound 7 under the action of a vitride solution as a reducing agent and crystallized with a crystallization solution, and a purified target compound is obtained. The preparation method of the rosuvastatin calcium intermediate has the advantages of low production cost, mild condition and simple and convenient operation.

Organic compound based on triazine and benzimidazole and application thereof to organic light-emitting diode (OLED) device

The invention relates to an organic compound based on triazine and benzimidazole and application thereof to an organic light-emitting diode (OLED) device. The compound disclosed by the invention has a high vitrification temperature and high molecular thermal stability; the compound has a low absorption rate and a high refraction rate in the field of visible light, and can be applied to a CPL (Circular-Polarizing Filter) layer of the OLED device to effectively increase the light output efficiency of the OLED device; the compound also has a deep HOMO (Highest Occupied Molecular Orbital) energy level and a high electron mobility, can be taken as a hole-blocking/electron transport layer material of the OLED device, and can effectively block holes or prevent energy from being transported from a light-emitting layer to one side of an electron layer, so that the compound efficiency of the holes and electrons on the light-emitting layer is increased, and the light-emitting efficiency and the service life of the OLED device are increased and prolonged.

METHOD FOR PREPARING ROSUVASTATIN CALCIUM INTERMEDIATE

Disclosed is a method for preparing rosuvastatin calcium intermediate of formula I, which comprises hydrolyzing an ester compound of formula II (R is C1-C5 alkyl) in the presence of a metal compound to obtain a carboxylic acid compound of formula III, and then reducing the carboxylic acid compound under a specific reduction condition to obtain rosuvastatin calcium intermediate of formula I.

METHOD FOR PREPARING ROSUVASTATIN CALCIUM INTERMEDIATE

A method for preparing a rosuvastatin calcium intermediate represented by formula I. The method includes: hydrolyzing an ester compound represented by formula II (in which, R represents C1-C5) in the presence of a metal compound to obtain a carboxylic acid compound represented by formula III; and reducing the carboxylic acid compound in the presence of a reductant.