1-(4-fluorobenzyl)-1,3-dihydro-2H-benzimidazol-2-one

Base Information

• Chemical Name: 1-(4-fluorobenzyl)-1,3-dihydro-2H-benzimidazol-2-one
• CAS No.: 100460-87-5
• Molecular Formula: C14H11 F N2 O
• Molecular Weight: 242.253
• DSSTox Substance ID: DTXSID00359409
• Wikidata: Q82140611
• ChEMBL ID: CHEMBL1877449
• Mol file: 100460-87-5.mol

Synonyms:100460-87-5;MLS000103178;ST093799;Oprea1_554623;CHEMBL1877449;DTXSID00359409;HMS2248E12;STK666758;AKOS001084194;SMR000018619;1-(4-fluorobenzyl)-1,3-dihydro-2H-benzimidazol-2-one;1-(4-Fluorobenzyl)-1,3-dihydro-2H-benzo[d]imidazol-2-one;1-(4-FLUOROBENZYL)-1,3-DIHYDRO-2H-1,3-BENZIMIDAZOL-2-ONE

Chemical Property of 1-(4-fluorobenzyl)-1,3-dihydro-2H-benzimidazol-2-one

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 242.08554114
• Heavy Atom Count: 18
• Complexity: 315

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)NC(=O)N2CC3=CC=C(C=C3)F

Technology Process of 1-(4-fluorobenzyl)-1,3-dihydro-2H-benzimidazol-2-one

There total 10 articles about 1-(4-fluorobenzyl)-1,3-dihydro-2H-benzimidazol-2-one 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: 85.0%

C14H12FIN2O (1042308-43-9) → 1-<(4-fluorophenyl)methyl>-benzimidazol-2(3H)-one (100460-87-5)

Guidance literature:

With copper(l) iodide; 1,8-diazabicyclo[5.4.0]undec-7-ene; In dimethyl sulfoxide; at 140 ℃; for 0.333333h; Microwave irradiation;

DOI:10.1021/ol8011106

Reference yield: 62.0%

1-(2-bromophenyl)-1-(4-fluorobenzyl)urea (1048344-51-9) → 1-<(4-fluorophenyl)methyl>-benzimidazol-2(3H)-one (100460-87-5)

Guidance literature:

With copper(l) iodide; N,N,N,N,-tetramethylethylenediamine; In water; at 120 ℃; for 15h;

DOI:10.1016/j.tet.2008.05.072

Reference yield:

ethyl 4-aminopiperidine-1-carboxylate (58859-46-4) + 2-chloro-1-(4-fluorobenzyl)-1H-benzimidazole (84946-20-3) → 1-<(4-fluorophenyl)methyl>-benzimidazol-2(3H)-one (100460-87-5) + ethyl 4-[[1-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]amino]-1-piperidinecarboxylate (84501-68-8)

Guidance literature:

With lutidine; cesium fluoride; In various solvent(s); at 120 ℃; for 3h; Further Variations:; Reagents; Solvents; Temperatures; pH-values; Product distribution;

DOI:10.1016/S0040-4039(99)01350-7

upstream raw materials:

1H-benzimidazol-2-ol

1-chloromethyl-4-fluorobenzene

ethyl 4-aminopiperidine-1-carboxylate

2-chloro-1-(4-fluorobenzyl)-1H-benzimidazole

Downstream raw materials:

2-chloro-1-(4-fluorobenzyl)-1H-benzimidazole

astemizole

ethyl 4-[[1-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]amino]-1-piperidinecarboxylate

1-[(4-fluorophenyl)methyl]-N-(4-piperidinyl)-1H-benzimidazol-2-amine dihydrobromide