66121-69-5

Basic information

• Product Name: 1-METHYL-1H-IMIDAZOLE-4-CARBONITRILE
• Synonyms: 1-METHYLIMIDAZOLE-4-CARBONITRILE;1-METHYL-1H-IMIDAZOLE-4-CARBONITRILE;1-Methyl-1H-imidazole-4-carbonitrile 97%;4-Cyano-1-methyl-1H-imidazole;1-Methyl-1H-imidazole-4-carbonitrile97%;1H-Imidazole-4-carbonitrile,1-methyl-;EOS-60601
• CAS NO: 66121-69-5
• Molecular Formula: C5H5N3
• Molecular Weight: 107.11
• Mol File: 66121-69-5.mol
• Article Data: 10

Chemical Properties

• Melting Point: 76 °C
• Boiling Point: 314.1 °C at 760 mmHg
• Flash Point: 143.8 °C
• Appearance: /
• Density: 1.12 g/cm³
• Vapor Pressure: 0.000476mmHg at 25°C
• Refractive Index: 1.579
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 1.52±0.61(Predicted)
• CAS DataBase Reference: 1-METHYL-1H-IMIDAZOLE-4-CARBONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-METHYL-1H-IMIDAZOLE-4-CARBONITRILE(66121-69-5)
• EPA Substance Registry System: 1-METHYL-1H-IMIDAZOLE-4-CARBONITRILE(66121-69-5)

Safety Data

• Hazard Codes: Xi
• Hazardous Substances Data: 66121-69-5(Hazardous Substances Data)

Usage

General Description

1-Methyl-1H-imidazole-4-carbonitrile is a chemical compound with the molecular formula C5H5N3. It is a heterocyclic organic compound that contains a 1-methyl-1H-imidazole ring and a nitrile group. 1-METHYL-1H-IMIDAZOLE-4-CARBONITRILE is used as a building block in the synthesis of pharmaceuticals, agrochemicals, and other fine chemicals. It is also used as a reagent in organic synthesis and is a key intermediate in the production of various drugs and biologically active molecules. 1-Methyl-1H-imidazole-4-carbonitrile is a highly versatile and valuable chemical that is widely used in the chemical industry.

InChI:InChI=1/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3

Upstream product

• 79080-39-0 1-Methylpyrazole-3-carboxylic acid nitrile 
• 146091-76-1 4-cyano-1-methyl-5-imidazolecarboxylic acid 
• 57090-88-7 1-H-imidazole-5-carbonitrile 
• 74-88-4 methyl iodide 
• 57090-88-7 1H-imidazole-4-carbonitrile 
• 1356555-93-5 C₁₂H₁₈N₄ 
• 593-51-1 methylamine hydrochloride 
• 544-92-3 copper(I) cyanide 
• 71759-87-0 4-iodo-1-methyl-1H-imidazole 
• 155372-92-2 ethyl 4-cyano-1-methyl-1H-imidazole-5-carboxylate 
• 66121-71-9 1-methyl-1H-pyrazole-4-carbonitrile 
• 79080-32-3 2-((methylamino)methylene)malononitrile 
• 616-47-7 1-methyl-1H-imidazole 
• 143-33-9 sodium cyanide 

Downstream Products

• 1271022-90-2 BMS-911543 
• 129003-87-8 1-(1-methyl-1H-imidazol-4-yl)ethanone 
• 1221430-73-4 6-benzyl-2-(1-methyl-1H-imidazol-4-yl)thieno[2,3-d]pyrimidin-4-ylamine 

Relevant articles and documents

ALKYNYL-(HETEROARYL)-CARBOXAMIDE HCN1 INHIBITORS

The present invention provides compounds of formula (I), Formula (I) wherein R1, R2 or R3 are as described herein, as well as pharmaceutically acceptable salts thereof. Further the present invention is concerned with the manufacture of the compounds of formula (I), pharmaceutical compositions comprising them and their use as medicaments.

Ni-Catalyzed C-H Functionalization in the Formation of a Complex Heterocycle: Synthesis of the Potent JAK2 Inhibitor BMS-911543

BMS-911543 is a complex pyrrolopyridine investigated as a potential treatment for myeloproliferative disorders. The development of a short and efficient synthesis of this molecule is described. During the course of our studies, a Ni-mediated C-N bond formation was invented, which enabled the rapid construction of the highly substituted 2-aminopyridine core. The synthesis of this complex, nitrogen-rich heterocycle was accomplished in only eight steps starting from readily available materials.

N-PHENYLAMIDINES AS 5-HT2A RECEPTOR ANTAGONISTS

Compounds of formula (I), are 5-HT2A receptor antagonists, and hence find use in treatment of a variety of adverse conditions of the 10 central nervous system.