1753-50-0

Basic information

• Product Name: 5-Pyrimidinecarbonitrile, 2-chloro- (7CI,8CI)
• Synonyms: 5-Pyrimidinecarbonitrile, 2-chloro- (7CI,8CI);5-Pyrimidinecarbonitrile, 2-chloro-;2-Chloro-5-pyrimidinecarbonitrile;2-Chloro-5-pyriMidinecarb...;2-Chloro-5-pyriMidinecarbonitril
• CAS NO: 1753-50-0
• Molecular Formula: C₅H₂ClN₃
• Molecular Weight: 139.54248
• Product Categories: PYRIMIDINE;Heterocycle-Pyrimidine series
• Mol File: 1753-50-0.mol

Chemical Properties

• Melting Point: 130-132 °C
• Boiling Point: 331.279 °C at 760 mmHg
• Flash Point: 154.152 °C
• Appearance: /
• Density: 1.438 g/cm³
• Vapor Pressure: 0.000157mmHg at 25°C
• Refractive Index: 1.568
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• PKA: -4.13±0.22(Predicted)
• CAS DataBase Reference: 5-Pyrimidinecarbonitrile, 2-chloro- (7CI,8CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 5-Pyrimidinecarbonitrile, 2-chloro- (7CI,8CI)(1753-50-0)
• EPA Substance Registry System: 5-Pyrimidinecarbonitrile, 2-chloro- (7CI,8CI)(1753-50-0)

Safety Data

• Hazardous Substances Data: 1753-50-0(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
5-Pyrimidinecarbonitrile, 2-chloro(7CI,8CI) is used as a chemical intermediate for the synthesis of various therapeutic drugs, particularly in the development of antiviral and anticancer medications. Its highly reactive chlorine atom allows for further chemical reactions, making it a valuable component in the creation of new pharmaceutical compounds.
Used in Chemical Synthesis:
In the field of chemical synthesis, 5-Pyrimidinecarbonitrile, 2-chloro(7CI,8CI) serves as a key building block for the production of other complex organic molecules. Its reactivity enables it to participate in various chemical reactions, contributing to the synthesis of a wide range of compounds with potential applications in different industries.

InChI:InChI=1/C5H2ClN3/c6-5-8-2-4(1-7)3-9-5/h2-3H

Upstream product

• 38373-47-6 2-methoxypyrimidine-5-carbonitrile 
• 33458-27-4 ethyl 2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate 
• 110099-99-5 2-CHLOROPYRIMIDINE-5-CARBONYLCHLORIDE 
• 856595-94-3 2-chloropyrimindine-5-carboxaminde 
• 374068-01-6 2-bromopyrimidine-5-carboxylic acid 
• 95928-49-7 ethyl 2-oxo-1,2-dihydropyrimidine-5-carboxylate 
• 89793-12-4 ethyl 2-chloropyrimidine-5-carboxylate 
• 1753-48-6 2-aminopyrimidine-5-carbonitrile 

Downstream Products

• 1057677-49-2 2-[4-(4-benzyl-phthalazin-1-yl)-piperazin-1-yl]-pyrimidine-5-carbonitrile 

Relevant articles and documents

Preparation method of 2-chloro-5-cyanopyrimidine compound

The invention discloses a preparation method of a 2-chloro-5-cyanopyrimidine compound. A route adopted by the preparation method is as follows: cyanoacetic acid is used as a raw material, ioxane is used as a solvent, and a reaction is conducted under the action of N,N-dimethylformamide dimethyl acetal so as to generate 3-(dimethylamino)acrylonitrile, and then a Vilsmeier reaction, an addition reaction, a ring closing reaction and a chlorination reaction are sequentially carried out to finally obtain a finished product, i.e., the 2-chloro-5-cyanopyrimidine compound. According to the synthetic route provided by the preparation method, raw materials are cheap and easily available; aftertreatment is simple; purification is easy; column chromatographic purification is not needed in each step ofreaction; the method can effectively overcome the technical defects of long route, expensive raw material cost, need of column chromatography and the like of other synthesis methods in the prior art;and the preparation method of the 2-chloro-5-cyanopyrimidine compound provided by the invention has important economic benefits on reduction of the drug cost, and is a technology which is low in costand suitable for industrial production.

Preparation method of 2-chloro-5-cyano nitrogen-containing six-membered heterocyclic compound

The invention provides a preparation method of a 2-chloro-5-cyano nitrogen-containing six-membered heterocyclic compound. The method comprises the following steps: using a 2-hydroxy-5-bromine nitrogen-containing six-membered heterocyclic compound as a raw material, under existence of a catalyst, in atmosphere of carbon monoxide gas, using methanol as a solvent, and performing a coupling reaction to obtain a methyl 2-hydroxyl nitrogen-containing six-membered heterocyclic ring-5-carboxylate, and sequentially performing an aminolysis reaction, a chlorination reaction with phosphorus oxychloride,and an oxidation reaction to obtain the 2-chloro-5-cyano nitrogen-containing six-membered heterocyclic compound. The preparation method has the advantages of short route and easily available raw material, a post-processing method is simple, no column chromatography is required after each reaction, the reaction product can be purified only by washing and extraction of a solvent, amplification is realized, industrial production is carried out, the method accords with environmental protection requirements, and has important value for actual production.

ORGANIC FLUORESCENT LUMINESCENT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE

An organic fluorescent luminescent material and an organic electro-luminescence device are provided. The organic fluorescent luminescent material may be represented by the formula, (Ar)-(Ph)-(X), wherein Ar is Ph include at least one benzene ring, X is a six-membered aromatic ring, and at least one nitrogen atom is located on the six-membered aromatic ring. The organic fluorescent luminescent material can be used in organic electro-luminescence devices.

HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE

Heteroaromatic compounds of structural formula I are selective inhibitors of stearoyl-coenzyme A delta-9 desaturase (SCD1) relative to other known stearoyl-coenzyme A desaturases. The compounds of the present invention are useful for the prevention and tr

PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS

Novel compounds of structure Formula (I) or an enantiomer, a diastereomer, or a pharmaceutically acceptable salt thereof, wherein Z, R1, R2, R21, T1, T2, T3 and T4 are defined herein, are provided which are GPR119 G protein-coupled receptor modulators. GPR119 G protein-coupled receptor modulators are useful in treating, preventing, or slowing the progression of diseases requiring GPR119 G protein-coupled receptor modulator therapy. Thus, the disclosure also concerns compositions comprising these novel compounds and methods of treating diseases or conditions related to the activity of the GPR119 G protein-coupled receptor by using any of these novel compounds or a composition comprising any of such novel compounds.

ORGANIC COMPOUNDS AND THEIR USES

The present disclosure relates to compounds relating to the diagnosis and treatment of pathologies relating to the Hedgehog pathway, including but not limited to tumor formation, cancer, neoplasia, and non-malignant hyperproliferative disorders; specifically relating to compounds of formula (I).