16357-68-9

Basic information

• Product Name: 5-Pyrimidinecarbonitrile, 4-chloro- (8CI,9CI)
• Synonyms: 5-Pyrimidinecarbonitrile, 4-chloro- (8CI,9CI);4-ChloropyridMine-5-carbonitrile;4-Chloro-5-pyriMidine carbonitrile;4-Chloro-5-cyanopyrimidine
• CAS NO: 16357-68-9
• Molecular Formula: C₅H₂ClN₃
• Molecular Weight: 139.54248
• Product Categories: PYRIMIDINE
• Mol File: 16357-68-9.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 289.3±20.0 oC (760 Torr)
• Flash Point: 128.8±21.8 oC
• Appearance: white powder
• Density: 1.43±0.1 g/cm3 (20 oC 760 Torr)
• Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
• PKA: -2.70±0.16(Predicted)
• CAS DataBase Reference: 5-Pyrimidinecarbonitrile, 4-chloro- (8CI,9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 5-Pyrimidinecarbonitrile, 4-chloro- (8CI,9CI)(16357-68-9)
• EPA Substance Registry System: 5-Pyrimidinecarbonitrile, 4-chloro- (8CI,9CI)(16357-68-9)

Safety Data

• Hazardous Substances Data: 16357-68-9(Hazardous Substances Data)

Usage

General Description

5-Pyrimidinecarbonitrile, 4-chloro- (8CI,9CI) is a chemical compound with the molecular formula C5H3ClN2. It is a pyrimidine derivative with a cyano group and a chlorine atom attached to the carbon atoms of the pyrimidine ring. 5-Pyrimidinecarbonitrile, 4-chloro- (8CI,9CI) is commonly used in the synthesis of pharmaceuticals, agrochemicals, and various organic compounds. It possesses physiological and pharmacological properties, making it an important building block in the development of new drugs and biologically active molecules. 5-Pyrimidinecarbonitrile, 4-chloro- (8CI,9CI) is also known for its potential applications in the field of chemical research and drug discovery. However, it is important to handle this compound with care as it may be hazardous if not used properly.

Upstream product

• 4774-34-9 4-hydroxypyrimidine-5-carbonitrile 

Downstream Products

• 59488-80-1 ethyl 3-aminothieno[2,3-d]pyrimidine-2-carboxylate 
• 87999-64-2 2',5-Dichloro-2-(5-cyano-4-pyrimidinyl)benzophenone 
• 1430745-82-6 (1R,3s,5S)-tert-butyl 3-((1r,4R)-4-(5-cyanopyrimidin-4-yloxy)cyclohexyloxy)-8-azabicyclo[3.2.1]octane-8-carboxylate 

Relevant articles and documents

Preparation method of medical intermediate 4-chloro-5-cyanopyrimidine

The invention discloses a preparation method of a medical intermediate 4-chloro-5-cyanopyrimidine. The method comprises the following steps: carrying out ring closing reaction on a compound 2-cyano-3-ethyoxyl ethyl acrylate as shown in a formula (II) and a compound formamidine acetate as shown in a formula (III) in a protonic solvent in the presence of sodium alcoholate to obtain a compound as shown in a formula (IV); and carrying out a chlorination reaction with any one or two or more than two of phosphorus pentachloride, phosphorus oxychloride, thionyl chloride or phosphorus trichloride to prepare the compound 4-chloro-5-cyanopyrimidine as shown in the formula (I). The preparation method disclosed by the invention has the following beneficial effects that the synthesis route is short, the synthesis is convenient, the yield is high, the toxicity of raw materials is small, the environmental pollution is relatively low, and the advantages of high purity, high yield, simple operation and industrialization are achieved; and the product obtained by adopting the method disclosed by the invention is convenient to purify, high in purification efficiency and good in effect. The method is suitable for manufacturers for preparing the medical intermediate 4-chloro-5-cyanopyrimidine.