4774-34-9

Basic information

• Product Name: 4-HYDROXYPYRIMIDINE-5-CARBONITRILE
• Synonyms: 4-HYDROXYPYRIMIDINE-5-CARBONITRILE;5-Pyrimidinecarbonitrile, 1,4-dihydro-4-oxo- (9CI);1,4-Dihydro-4-oxo-5-pyrimidinecarbonitrile;1,6-Dihydro-6-oxo-5-pyrimidinecarbonitrile;4-Oxo-1,4-dihydro-pyrimidine-5-carbonitrile
• CAS NO: 4774-34-9
• Molecular Formula: C5H3N3O
• Molecular Weight: 121.09682
• Product Categories: PYRIMIDINE;Heterocycle-Pyrimidine series
• Mol File: 4774-34-9.mol
• Article Data: 1

Chemical Properties

• Melting Point: 244-249°C
• Boiling Point: 334.5 °C at 760 mmHg
• Flash Point: 156.1 °C
• Appearance: /
• Density: 1.45 g/cm³
• Vapor Pressure: 6.55E-05mmHg at 25°C
• Refractive Index: 1.601
• Storage Temp.: 2-8°C
• PKA: 6.60±0.40(Predicted)
• CAS DataBase Reference: 4-HYDROXYPYRIMIDINE-5-CARBONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-HYDROXYPYRIMIDINE-5-CARBONITRILE(4774-34-9)
• EPA Substance Registry System: 4-HYDROXYPYRIMIDINE-5-CARBONITRILE(4774-34-9)

Safety Data

• Hazard Codes: Xn
• Statements: 22-41
• Safety Statements: 26-36
• WGK Germany: 3
• Hazardous Substances Data: 4774-34-9(Hazardous Substances Data)

Usage

General Description

4-Hydroxypyrimidine-5-carbonitrile is a chemical compound with the molecular formula C5H4N2O, also known as 5-Cyano-2-pyrimidinol. It is a heterocyclic aromatic organic compound with a cyanide group attached to a pyrimidine ring. This chemical is commonly used as an intermediate in the synthesis of pharmaceuticals and agrochemicals. It has potential applications in the development of new drugs and pesticides due to its biological activity. 4-Hydroxypyrimidine-5-carbonitrile is also used as a building block in organic chemistry for the preparation of various complex compounds.

InChI:InChI=1/C5H3N3O/c6-1-4-2-7-3-8-5(4)9/h2-3H,(H,7,8,9)

Upstream product

• 3473-63-0 formamidine acetic acid 
• 94-05-3 ethyl (ethoxymethylene)cyanoacetate 

Downstream Products

• 16357-68-9 4-chloro-pyrimidine-5-carbonitrile 

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.