1-METHYL-1H-IMIDAZOLE-4,5-DICARBONITRILE

Base Information

• Chemical Name: 1-METHYL-1H-IMIDAZOLE-4,5-DICARBONITRILE
• CAS No.: 19485-35-9
• Molecular Formula: C6H4N4
• Molecular Weight: 132.125
• Hs Code.: 29332900
• Mol file: 19485-35-9.mol

Synonyms:Imidazole-4,5-dicarbonitrile,1-methyl- (8CI);1-Methyl-4,5-dicyanoimidazole;1-Methylimidazole-4,5-dicarbonitrile;4,5-Dicyano-1-methylimidazole;MOA 6;

Chemical Property of 1-METHYL-1H-IMIDAZOLE-4,5-DICARBONITRILE

Chemical Property:

• Vapor Pressure: 1.83E-08mmHg at 25°C
• Melting Point: 83-85 °C
• Refractive Index: 1.622
• Boiling Point: 454.9 °C at 760 mmHg
• PKA: -2.46±0.61(Predicted)
• Flash Point: 228.9 °C
• PSA: 65.40000
• Density: 1.21 g/cm³
• LogP: 0.16346
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

98% ^*data from raw suppliers

1-Methyl-1H-imidazole-4,5-dicarbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xi,Xn
• Statements: 25-36/37/38-20/21/22
• Safety Statements: 20-26-36/37-45-60-9

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1-METHYL-1H-IMIDAZOLE-4,5-DICARBONITRILE

There total 13 articles about 1-METHYL-1H-IMIDAZOLE-4,5-DICARBONITRILE which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 97.0%

Trimethyl orthoacetate (1445-45-0) + 4,5-dicyano-1H-imidazole (1122-28-7) → 1-methyl-4,5-dicyanoimidazole (19485-35-9)

Guidance literature:

at 100 ℃; for 2h;

DOI:10.1055/s-1991-26384

Reference yield: 97.0%

4,5-dicyano-1H-imidazole (1122-28-7) + trimethyl orthoformate (149-73-5) → 1-methyl-4,5-dicyanoimidazole (19485-35-9)

Guidance literature:

at 100 ℃; for 36h;

DOI:10.1055/s-1991-26384

Reference yield: 96.0%

diaminomaleonitrile (1187-42-4) + trimethyl orthoformate (149-73-5) → 1-methyl-4,5-dicyanoimidazole (19485-35-9)

Guidance literature:

at 70 - 100 ℃; for 3h; other orthoesters; also with 4,5-dicyanoimidazole;

DOI:10.1055/s-1991-26384

upstream raw materials:

4,5-dibromo-1-methyl-1H-imidazole

copper(I) cyanide

methanol

4,5-dicyano-1H-imidazole

Downstream raw materials:

diethyl 1-methylimidazol-1H-yl-4,5-dicarboxylate

2-bromo-3-methyl-3H-imidazole-4-carboxylic acid methyl ester

1-methyl-1H-imidazole-4,5-dicarboxylic acid

1-methylimidazole-4-carboxylic acid

Refernces

• 1、 -. "ANTICANCER COMBINATION THERAPY WITH N-(1-ACRYLOYL-AZETIDIN-3-YL)-2-((1H-INDAZOL-3-YL)AMINO)METHYL)-1H-IMIDAZOLE-5-CARBOXAMIDE INHIBITOR OF KRAS-G12C". Paragraph 00351; 00352. . Retrieved 2021/10/30.
• 2、 Bure?, Filip,Kulhánek, Ji?í,Mikysek, Tomá?,Ludvík, Ji?í,Lokaj, Ján. "Branched charge-transfer chromophores featuring a 4,5-dicyanoimidazole unit". scheme or table. p. 2055 - 2058. Retrieved 2010/06/19.