1-Benzyl-2-phenyl-1H-benzoimidazole

Base Information

• Chemical Name: 1-Benzyl-2-phenyl-1H-benzoimidazole
• CAS No.: 739-88-8
• Molecular Formula: C20H16N2
• Molecular Weight: 284.36
• Hs Code.: 2933290090
• DSSTox Substance ID: DTXSID90361117
• Nikkaji Number: J1.676.805G
• Wikidata: Q27451775
• Pharos Ligand ID: FF68RAWG4MB8
• ChEMBL ID: CHEMBL1922082
• Mol file: 739-88-8.mol

Synonyms:1-benzyl-2-phenylbenzimidazole

Chemical Property of 1-Benzyl-2-phenyl-1H-benzoimidazole

Chemical Property:

• Melting Point: 134 °C
• Boiling Point: 490.8±38.0 °C(Predicted)
• PKA: 4.76±0.10(Predicted)
• PSA: 17.82000
• Density: 1.11±0.1 g/cm3(Predicted)
• LogP: 4.75160
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 284.131348519
• Heavy Atom Count: 22
• Complexity: 344

Purity/Quality:

1-Benzyl-2-phenyl-1H-benzoimidazole 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2C4=CC=CC=C4

Technology Process of 1-Benzyl-2-phenyl-1H-benzoimidazole

There total 94 articles about 1-Benzyl-2-phenyl-1H-benzoimidazole 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: 99.0%

N1,N2-dibenzylbenzene-1,2-diamine (21443-66-3) → 1-benzyl-2-phenyl-1H-1,3-benzimidazole (739-88-8)

Guidance literature:

With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In dimethyl sulfoxide; at 40 ℃; for 2h; Time; Solvent; Temperature;

DOI:10.1016/j.tet.2020.131474

Reference yield: 97.0%

benzaldehyde (100-52-7) + 1,2-diamino-benzene (95-54-5) → 1-benzyl-2-phenyl-1H-1,3-benzimidazole (739-88-8) + 2-phenyl-1H-benzoimidazole (716-79-0)

Guidance literature:

With oxygen; scandium tris(trifluoromethanesulfonate); In tetrahydrofuran; at 20 ℃; for 44h;

Reference yield: 94.0%

N-benzyl-1,2-phenylenediamine (5822-13-9) + benzaldehyde (100-52-7) → 1-benzyl-2-phenyl-1H-1,3-benzimidazole (739-88-8)

Guidance literature:

With sodium metabisulfite; In ethanol; at 80 ℃; for 1h; Reagent/catalyst; Solvent; Sealed tube;

DOI:10.3987/COM-19-14071

upstream raw materials:

ethanol

N,N-dibenzylidenebenzene-1,2-diamine

N-benzylidene-o-phenylenediamine

2-phenyl-tetrahydro-(2H)-1,3-oxazine

Downstream raw materials:

{Co((II)1-benzyl-2-phenylbenzimidazole)2(NCS)2}

2-phenyl-1H-benzoimidazole

1-benzyl-2-(3-nitrophenyl)-1H-benzo[d]imidazole

Refernces

• 1、 Karunakaran,Jayabharathi,Jayamoorthy,Vinayagamoorthy. "Photoinduced electron-transfer from benzimidazole to nanocrystals". . p. 295 - 300. Retrieved 2013.
• 2、 Bezzubov,Bilyalova,Kuznetsova,Pavlov,Kiselev, Yu. M.,Dolzhenko. "Synthesis, structure, and optical properties of iridium(III) complex with 1-benzyl-2-phenylbenzimidazole and 4,4'-dicarboxy-2,2'-bipyridyne". . p. 1085 - 1089. Retrieved 2017.
• 3、 Shadab,Dey, Gargi,Sk, Motahar,Banerjee, Debasis,Aijaz, Arshad. "Heterogenizing a Homogeneous Nickel Catalyst Using Nanoconfined Strategy for Selective Synthesis of Mono- And 1,2-Disubstituted Benzimidazoles". supporting information. p. 16042 - 16047. Retrieved 2021/11/04.
• 4、 Sarkar, Arijit,Jana, Sourav,Nayek, Hari Pada. "A pentanuclear Er (III) coordination cluster as a catalyst for selective synthesis of 1,2-disubstituted benzimidazoles". . . Retrieved 2021/02/22.