4-Methyl-2-phenyl-1H-imidazole

Base Information

• Chemical Name: 4-Methyl-2-phenyl-1H-imidazole
• CAS No.: 827-43-0
• Molecular Formula: C10H10 N2
• Molecular Weight: 158.203
• Hs Code.: 29332900
• European Community (EC) Number: 212-571-5
• DSSTox Substance ID: DTXSID8061187
• Nikkaji Number: J139.694C
• Wikidata: Q72494870
• Mol file: 827-43-0.mol

Synonyms:4-Methyl-2-phenyl-1H-imidazole;827-43-0;4-Methyl-2-phenylimidazole;2-Phenyl-4-methylimidazole;5-methyl-2-phenyl-1H-imidazole;1H-Imidazole, 4-methyl-2-phenyl-;1H-Imidazole, 5-methyl-2-phenyl-;EINECS 212-571-5;MFCD00047015;5-methyl-2-phenylimidazole;methyl-2-phenylimidazole;SCHEMBL49612;SCHEMBL3861014;DTXSID8061187;4-Methyl-2-phenylimidazole, 95%;STK192082;AKOS003656985;AKOS006240991;AKOS025394854;CS-W017956;DS-8041;SY035731;AM20041214;FT-0619024;M0669;F13732;EN300-7375643;AC-907/25014273;W-104163;7VP

Chemical Property of 4-Methyl-2-phenyl-1H-imidazole

Chemical Property:

• Vapor Pressure: 7.66E-05mmHg at 25°C
• Melting Point: 180-183 °C(lit.)
• Boiling Point: 352.7 °C at 760 mmHg
• PKA: 13.22±0.10(Predicted)
• Flash Point: 184.5 °C
• PSA: 28.68000
• Density: 1.109 g/cm³
• LogP: 2.38510
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Insoluble in water
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 158.084398327
• Heavy Atom Count: 12
• Complexity: 141

Purity/Quality:

98% ^*data from raw suppliers

4-Methyl-2-phenyl-1H-imidazole ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CN=C(N1)C2=CC=CC=C2
• Uses: 4-Methyl-2-phenylimidazole is suitable for use to investgate the cytotoxic activity of 4-trifluoromethylimidazoles against human tumor and normal cells. It may be used in following studies:Curing of epoxy system consisting of a diglycidyl ether of bisphenol-F epoxy resin, 1,4-butanediol. Curing of bisphenol-F epoxy resin. Synthesis of aza-heterocyclic compounds.Preparation of 1-[(2-chlorophenyl)(diphenyl)methyl]-4-methyl-2-phenyl-1H-imidazole.

Technology Process of 4-Methyl-2-phenyl-1H-imidazole

There total 42 articles about 4-Methyl-2-phenyl-1H-imidazole 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: 96.0%

1-cyano-4-methyl-2-phenylimidazole (88346-57-0) → 4-methyl-2-phenyl-1H-imidazole (827-43-0)

Guidance literature:

With potassium hydroxide; In methanol; for 14h; Ambient temperature;

Reference yield: 94.0%

4-(2-oxopropyl)-3-phenyl-1,2,4-oxadiazol-5(4H)-one → 4-methyl-2-phenyl-1H-imidazole (827-43-0)

Guidance literature:

With allyl(cyclopentadiene)palladium(II); sodium 3-(diphenylphosphanyl)benzenesulfonate; In 1,4-dioxane; at 80 ℃; for 24h;

DOI:10.1055/s-0034-1378320

Reference yield: 91.0%

2-chloro-4-methylimidazole (909086-61-9) + phenylboronic acid (98-80-6) → 4-methyl-2-phenyl-1H-imidazole (827-43-0)

Guidance literature:

With potassium carbonate; In ethanol; water; at 50 ℃; for 5h; Inert atmosphere;

DOI:10.1002/adsc.200900495

upstream raw materials:

5-methyl-2-phenyl-1⁽³⁾H-imidazole-4-carboxylic acid

5-methyl-2-phenyloxazole-4-carboxylic acid

glycine methyl ketone

acetic acid

Downstream raw materials:

5-methyl-2-phenyl-4-(trifluoromethyl)-1H-imidazole

4-methyl-1-(2-nitro-benzyl)-2-phenyl-1H-imidazole

4-iodo-1,5-dimethyl-2-phenyl-1H-imidazole

1,5-dimethyl-2-phenyl-4-((trimethylsilyl)ethynyl)-1H-imidazole

Refernces

• 1、 Zhang, Lidan,Xiao, Ke,Qiao, Yan,Li, Xin,Song, Chuanjun,Chang, Junbiao. "Base-Promoted Cycloisomerization for the Synthesis of Oxazoles and Imidazoles". . p. 6913 - 6918. Retrieved 2018/12/05.
• 2、 Pews-Davtyan, Anahit,Beller, Matthias. "A novel Zn-catalyzed hydroamination of propargylamides: A general synthesis of di- and tri-substituted imidazoles". supporting information; experimental part. p. 2152 - 2154. Retrieved 2011/03/22.