4-(2-Methyl-1H-imidazol-1-yl)-2,2-diphenylbutanenitrile

Base Information

• Chemical Name: 4-(2-Methyl-1H-imidazol-1-yl)-2,2-diphenylbutanenitrile
• CAS No.: 214777-43-2
• Molecular Formula: C20H19N3
• Molecular Weight: 301.391
• Hs Code.: 2933290090
• DSSTox Substance ID: DTXSID30433988
• Nikkaji Number: J1.195.648C
• ChEMBL ID: CHEMBL69195
• Mol file: 214777-43-2.mol

Synonyms:4-(2-Methyl-1H-imidazol-1-yl)-2,2-diphenylbutanenitrile;214777-43-2;4-(2-methylimidazol-1-yl)-2,2-diphenylbutanenitrile;CHEMBL69195;SCHEMBL3168006;DTXSID30433988;CS-0179156;A51154;A858368;2,2-Diphenyl-4-(2-methyl-1-imidazolyl)butanenitrile

Chemical Property of 4-(2-Methyl-1H-imidazol-1-yl)-2,2-diphenylbutanenitrile

Chemical Property:

• Boiling Point: 508.8±50.0 °C(Predicted)
• PKA: 7.53±0.31(Predicted)
• PSA: 41.61000
• Density: 1.05±0.1 g/cm3(Predicted)
• LogP: 4.09148
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 301.157897619
• Heavy Atom Count: 23
• Complexity: 394

Purity/Quality:

99.5% ^*data from raw suppliers

4-(2-Methyl-1H-imidazol-1-yl)-2,2-diphenylbutanenitrile 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=NC=CN1CCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3

Technology Process of 4-(2-Methyl-1H-imidazol-1-yl)-2,2-diphenylbutanenitrile

There total 2 articles about 4-(2-Methyl-1H-imidazol-1-yl)-2,2-diphenylbutanenitrile 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: 77.0%

2-methylimidazole (693-98-1) + 4-bromo-2,2-diphenylbutyronitrile (39186-58-8) → 4-(2-methyl-1H-imidazol-1-yl)-2,2-diphenylbutanenitrile (214777-43-2)

Guidance literature:

With triethylamine; In N,N-dimethyl-formamide;

DOI:10.1016/S0968-0896(99)00003-6

Reference yield:

2-methylimidazole (693-98-1) + 2-chloroethyldiphenylacetonitrile (68318-96-7) → 4-(2-methyl-1H-imidazol-1-yl)-2,2-diphenylbutanenitrile (214777-43-2)

Guidance literature:

With potassium hydroxide; In isopropyl alcohol; at 20 - 30 ℃;

Reference yield: 90.0%

4-(2-methyl-1H-imidazol-1-yl)-2,2-diphenylbutanenitrile (214777-43-2) → 4-(2-methyl-1H-imidazol-1-yl)-2,2-diphenylbutanenitrile phosphate

Guidance literature:

With phosphoric acid; In ethanol; at 20 ℃; for 2h; Solvent; Temperature;

upstream raw materials:

2-methylimidazole

4-bromo-2,2-diphenylbutyronitrile

2-chloroethyldiphenylacetonitrile

Downstream raw materials:

imidafenacin

4-(2-Methyl-imidazol-1-yl)-2,2-diphenyl-butyric acid methyl ester

4-(2-methyl-1-imidazolyl)-2,2-diphenylbutyronitrile phosphate

Refernces

• 1、 -. "4-(2-METHYL-1H-IMIDAZOL-1-YL)-2,2-DIPHENYLBUTANENITRILE SOLID FORM". Page/Page column 22; 23. . Retrieved 2016/09/26.
• 2、 -. "PROCESS FOR PRODUCING MUSCARINE RECEPTOR ANTAGONIST AND INTERMEDIATE THEREFOR". Page/Page column 4. . Retrieved 2008/06/13.