1H-Imidazole-2-carbonitrile

Base Information

• Chemical Name: 1H-Imidazole-2-carbonitrile
• CAS No.: 31722-49-3
• Molecular Formula: C4H3N3
• Molecular Weight: 93.0879
• Hs Code.: 2933290090
• European Community (EC) Number: 869-630-9
• DSSTox Substance ID: DTXSID30340406
• Wikidata: Q82110029
• ChEMBL ID: CHEMBL4582852
• Mol file: 31722-49-3.mol

Synonyms:1H-Imidazole-2-carbonitrile;31722-49-3;Imidazole, 2-cyano-;cyanoimidazole;1H-Imidazol-2-carbonitrile;1H-Imidazole-2-carbonitrile #;CHEMBL4582852;DTXSID30340406;MFCD08668415;AKOS006237410;CS-W021330;PB17552;AS-59022;FT-0648221;EN300-102606;A820962;Z1198180312

Chemical Property of 1H-Imidazole-2-carbonitrile

Chemical Property:

• Vapor Pressure: 0.00493mmHg at 25°C
• Melting Point: 176-177 °C(Solv: benzene (71-43-2))
• Refractive Index: 1.551
• Boiling Point: 276 °C at 760 mmHg
• PKA: 9.51±0.10(Predicted)
• Flash Point: 103.7 °C
• PSA: 52.47000
• Density: 1.28 g/cm³
• LogP: 0.28138
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 93.032697108
• Heavy Atom Count: 7
• Complexity: 101

Purity/Quality:

98%,99%, ^*data from raw suppliers

1H-Imidazole-2-carbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=C(N1)C#N

Technology Process of 1H-Imidazole-2-carbonitrile

There total 7 articles about 1H-Imidazole-2-carbonitrile 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: 98.6%

C23H17N3 → 2-cyano imidazole (31722-49-3)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; methanol; for 3h; Solvent; Reagent/catalyst; Cooling with ice;

Reference yield: 93.5%

1-<<2-(trimethylsilyl)ethoxy>methyl>-1H-imidazole-2-carbonitrile (101226-40-8) → 2-cyano imidazole (31722-49-3)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; water; for 3h; Cooling with ice;

Reference yield: 90.8%

C13H23N3Si → 2-cyano imidazole (31722-49-3)

Guidance literature:

With trifluoroacetic acid; In dichloromethane;

upstream raw materials:

1-(Phenylmethyl)-1H-imidazole-2-carbonitrile

1-<<2-(trimethylsilyl)ethoxy>methyl>-1H-imidazole-2-carbonitrile

1H-Imidazole-2-carbothioic acid amide

2-imidazolecarbaldehyde

Downstream raw materials:

1-(Phenylmethyl)-1H-imidazole-2-carbonitrile

(2R,5S)-5-(2-cyanoimidazol-1-ylmethyl)-4-{2-[6-(4-fluorobenzyl)-3,3-dimethyl-2,3-dihydro-pyrrolo[3,2-b]pyridin-1-yl]-2-oxo-ethyl}-2-methyl-piperazine-1-carboxylic acid tert-butyl ester

C₁₅H₁₃N₇O

1-[4-(3,5-dimethylphenylsulfanyl)-5-iodo-2-methyl-6-oxo-1,6-dihydropyridin-3-ylmethyl]-1H-imidazole-2-carbonitrile

Refernces

• 1、 -. "A process for preparing 7-bromo imidazo [2,1-f] [1, 2, 4] triazin-4-amine method". Paragraph 0094-0096. . Retrieved 2016/11/24.
• 2、 -. "HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS AND COMBINATIONS THEREOF". Page/Page column 271; 272. . Retrieved 2015/07/07.