18502-05-1

Basic information

• Product Name: 4(5)-CYANOMETHYLIMIDAZOLE
• Synonyms: 4-cyanomethylimidazole;4-Imidazoleacetonitrile;4(5)-CYANOMETHYLIMIDAZOLE 99+%;1H-Imidazole-5-acetonitrile;(4-Imidazolyl)acetonitrile, 97%;4-CyanoMethyl-1H-iMidazole;1H-IMidazole-5-acetonitri...;2-(1H-iMidazol-4-yl)acetonitrile
• CAS NO: 18502-05-1
• Molecular Formula: C₅H₅N₃
• Molecular Weight: 107.11
• Mol File: 18502-05-1.mol
• Article Data: 13

Chemical Properties

• Melting Point: 142°C
• Boiling Point: 393.6 °C at 760 mmHg
• Flash Point: 132.1 °C
• Appearance: /
• Density: 1.228 g/cm³
• Vapor Pressure: 2.1E-06mmHg at 25°C
• Refractive Index: 1.561
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 12.58±0.10(Predicted)
• Water Solubility: Insoluble in water.
• CAS DataBase Reference: 4(5)-CYANOMETHYLIMIDAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 4(5)-CYANOMETHYLIMIDAZOLE(18502-05-1)
• EPA Substance Registry System: 4(5)-CYANOMETHYLIMIDAZOLE(18502-05-1)

Safety Data

• Hazard Codes: Xn
• Statements: 20/21/22-22-36/37/38-25
• Safety Statements: 22-36/37/39-45-36/37-26
• RIDADR: 3439
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 18502-05-1(Hazardous Substances Data)

Usage

Description

4(5)-CYANOMETHYLIMIDAZOLE is an organic compound with the molecular formula C4H4N4. It is a heterocyclic compound featuring a cyano group and a methyl group attached to an imidazole ring. 4(5)-CYANOMETHYLIMIDAZOLE is known for its chemical reactivity and is often used as a building block in the synthesis of various pharmaceuticals and chemical products.

Uses

Used in Pharmaceutical Industry:
4(5)-CYANOMETHYLIMIDAZOLE is used as an intermediate in the synthesis of various pharmaceutical compounds for [application reason]. Its unique chemical structure allows it to be a versatile building block in the development of new drugs with potential therapeutic applications.
Used in Chemical Synthesis:
In the chemical industry, 4(5)-CYANOMETHYLIMIDAZOLE is used as a key component in the production of various chemical products. For example, it is used to produce 2-(1H-imidazol-4-yl)-3-phenyl-acrylonitrile at ambient temperature, which can be further utilized in the synthesis of other valuable compounds.

InChI:InChI=1/C5H5N3/c6-2-1-5-3-7-4-8-5/h3-4H,1H2,(H,7,8)

Upstream product

• 74294-89-6 (αS)-<α-(2)H>histidine 
• 645-35-2 L-histidine monohydrochloride 
• 71-00-1 L-histidine 
• 143-33-9 sodium cyanide 
• 23785-22-0 5-(chloromethyl)-1 H-imidazole 
• 135200-62-3 2-(imidazol-4-yl)ethanamide 
• 645-65-8 2-(1H-imidazol-4-yl)acetic acid 
• 6459-59-2 histidine hydrochloride 
• 645-35-2 L-histidine monohydrochloride 
• 151-50-8 potassium cyanide 
• 127-65-1 chloroamine-T 
• 71-00-1 D,L-histidine 

Downstream Products

• 64464-46-6 (1-trityl-1H-imidazol-4-yl)acetonitrile 
• 822-36-6 4-methyl-1H-imidazole 
• 645-65-8 2-(1H-imidazol-5-yl)acetic acid 
• 1256643-67-0 2-(1-benzyl-1H-imidazol-5-yl)acetonitrile 
• 732251-46-6 (3-methoxymethyl-3H-imidazol-4-yl)-acetonitrile 
• 3251-69-2 imidazole-4-acetic acid hydrochloride 
• 2032-09-9 2-(1-tosyl-1H-imidazol-4-yl)acetonitrile 
• 74-90-8 hydrogen cyanide 
• 1334541-10-4 (1-phenyl-1H-imidazol-4-yl)acetonitrile 
• 1334541-16-0 methyl (1R,2S)-2-{3-[(tert-butoxycarbonyl)amino]propyl}-1-(1-phenyl-1H-imidazol-4-yl)cyclopropane carboxylate 
• 1334541-15-9 methyl (1R,2S)-2-(2-cyanoethyl)-1-(1-phenyl-1H-imidazol-4-yl)cyclopropane carboxylate 
• 1334541-13-7 methyl (1R,2S)-2-(bromomethyl)-1-(1-phenyl-1H-imidazol-4-yl)cyclopropane carboxylate 

Relevant articles and documents

Molecular chameleons . Design and synthesis of C-4-substituted imidazole fleximers

(Chemical Equation Presented) The synthesis of two flexible nucleosides is presented. The fleximers feature the purine ring system split into its imidazole and pyrimidine components. This modification serves to introduce flexibility to the nucleoside while still retaining the elements essential for molecular recognition. As a result, these structurally innovative nucleosides can more readily adapt to capricious binding sites and, as such, should find use for investigating enzyme-coenzyme as well as nucleic acid-protein interactions.

Corresponding amine nitrile and method of manufacturing thereof

The invention relates to a manufacturing method of nitrile. Compared with the prior art, the manufacturing method has the characteristics of significantly reduced using amount of an ammonia source, low environmental pressure, low energy consumption, low production cost, high purity and yield of a nitrile product and the like, and nitrile with a more complex structure can be obtained. The invention also relates to a method for manufacturing corresponding amine from nitrile.

Synthetic method of histamine dichloride

The invention discloses a synthetic method of histamine dichloride, and belongs to the field of drug synthesis. The synthetic method comprises the following steps: preparing a cyano methylimidazole intermediate through oxidization of TCCA (Trichloroisocyanuric Acid) under an alkaline condition by taking L-histidine as an original raw material, and then preparing medicinal histamine dichloride through catalytic hydrogenation and one-step salifying process. In the histamine dichloride compounded through the synthetic method, the content of related substances is less than 0.5 percent, the content of a single impurity is less than 0.1 percent, and the histamine dichloride accords with medicinal level. A reagent adopted by the technology is cheap and of low-toxicity, the reaction is safe and reliable, an alcohol solvent can be recycled, after-treatment operation is simple and convenient, and the technology is environment-friendly and is beneficial for large-scale industrial production.