136547-16-5

Basic information

• Product Name: Pyrimidine, 4-(trifluoromethyl)- (9CI)
• Synonyms: Pyrimidine, 4-(trifluoromethyl)- (9CI);4-Trifluoromethylpyrimidine
• CAS NO: 136547-16-5
• Molecular Formula: C5H3F3N2
• Molecular Weight: 148.0859296
• Product Categories: PYRIMIDINE
• Mol File: 136547-16-5.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 137.9 °C at 760 mmHg
• Flash Point: 37.2 °C
• Appearance: /
• Density: 1.353 g/cm³
• Vapor Pressure: 8.58mmHg at 25°C
• Refractive Index: 1.415
• Storage Temp.: 2-8°C
• CAS DataBase Reference: Pyrimidine, 4-(trifluoromethyl)- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Pyrimidine, 4-(trifluoromethyl)- (9CI)(136547-16-5)
• EPA Substance Registry System: Pyrimidine, 4-(trifluoromethyl)- (9CI)(136547-16-5)

Safety Data

• Hazardous Substances Data: 136547-16-5(Hazardous Substances Data)

Usage

General Description

Pyrimidine, 4-(trifluoromethyl)- (9CI) is a chemical compound with the molecular formula C5H3F3N2. It is a derivative of pyrimidine with a trifluoromethyl group attached to the fourth carbon atom. Pyrimidine, 4-(trifluoromethyl)- (9CI) is used in pharmaceutical and agrochemical research as a building block for the synthesis of various biologically active molecules. It is also used as a reagent in organic synthesis and as a precursor in the production of specialty chemicals. Pyrimidine, 4-(trifluoromethyl)- (9CI) has potential applications in drug discovery and development, as well as in the manufacturing of agrochemicals and other industrial products. However, it is important to handle this compound with care due to its potential health and environmental hazards.

InChI:InChI=1/C5H3F3N2/c6-5(7,8)4-1-2-9-3-10-4/h1-3H

Upstream product

• 136547-17-6 4-trifluoromethyl-2-mercaptopyrimidine 
• 59938-06-6 (E)-4-Ethoxy-1,1,1-trifluoro-3-buten-2-one 
• 3473-63-0 formamidine acetic acid 
• 59938-06-6 4-ethoxy-1,1,1-trifluoro-3-butene-2-one 
• 77287-34-4 formamide 

Relevant articles and documents

The synthesis of nebularine and its analogs via oxidative desulfuration in aqueous nitric acid

The synthesis of nebularine and its analogs has been achieved via oxidative desulfuration in H2O for the first time. With 50% HNO3as an oxidant and solvent, 18 products were obtained in good yields (70%–94%). The oxidative desulfuration system could tolerate different functional groups including fluoro, chloro, amino, alkyl, allyl, ribosyl, deoxyribosyl, and arabinofuranosyl groups.More importantly, the drug nebularine could be obtained successfully on a 20 g scale, which made this route more attractive for industrial applications.

Efficient synthesis of nebularine and vidarabine via dehydrazination of (hetero)aromatics catalyzed by CuSO4 in water

A simple dehydrazination reaction has been achieved in the presence of a catalytic amount of CuSO4 for the first time. With CuSO4 (2 mol%) as a catalyst and water as a solvent, the dehydrazination products were obtained in good yields (66-95%). Moreover, the drugs nebularine and vidarabine were afforded successfully, and vidarabine could be produced on a 0.923 kg scale, which shows good potential for industrial applications.