1H-Benzimidazole, 2-[(4-methylphenyl)methyl]-

Base Information

• Chemical Name: 1H-Benzimidazole, 2-[(4-methylphenyl)methyl]-
• CAS No.: 108714-03-0
• Molecular Formula: C15H14N2
• Molecular Weight: 222.29
• DSSTox Substance ID: DTXSID90354408
• Wikidata: Q82132517
• ChEMBL ID: CHEMBL1718693
• Mol file: 108714-03-0.mol

Synonyms:1H-Benzimidazole, 2-[(4-methylphenyl)methyl]-;108714-03-0;HMS2857H08;Cambridge id 5493861;MLS001194800;CHEMBL1718693;SCHEMBL22356617;DTXSID90354408;CCG-15749;2-(4-methylbenzyl)-1H-benzimidazole;AKOS000275108;2-(4-methylbenzyl)-1 h -benzimidazole;SMR000554819;AB00087034-01;SR-01000407633;SR-01000407633-1;2-[(4-METHYLPHENYL)METHYL]-1H-1,3-BENZODIAZOLE

Chemical Property of 1H-Benzimidazole, 2-[(4-methylphenyl)methyl]-

Chemical Property:

• PSA: 28.68000
• LogP: 3.46210
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 222.115698455
• Heavy Atom Count: 17
• Complexity: 245

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)CC2=NC3=CC=CC=C3N2

Technology Process of 1H-Benzimidazole, 2-[(4-methylphenyl)methyl]-

There total 2 articles about 1H-Benzimidazole, 2-[(4-methylphenyl)methyl]- 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: 79.0%

4-tolylacetic acid (622-47-9) + 1,2-diamino-benzene (95-54-5) → 2-(4-methylbenzyl)-1H-benzo[d]imidazole (108714-03-0)

Guidance literature:

4-tolylacetic acid; 1,2-diamino-benzene; at 190 ℃; for 2h;

With sodium hydroxide; In water; at 5 ℃; for 24h;

DOI:10.1039/c3ob27404g

Reference yield:

→ 2-(4-methylbenzyl)-1H-benzo[d]imidazole (108714-03-0)

Guidance literature:

4-Methyl-benzylcyanid, 1) HCl in A.+Chlf., 2) o-Phenylendiamin;

Reference yield: 87.0%

α-bromocinnamaldehyde (5443-49-2) + 2-(4-methylbenzyl)-1H-benzo[d]imidazole (108714-03-0) → 4-(p-methylphenyl)-1-phenylbenzo[4,5]imidazo[1,2-a]pyridine

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 120 ℃; for 12h;

DOI:10.1039/d1ob01424b

upstream raw materials:

4-tolylacetic acid

1,2-diamino-benzene

Downstream raw materials:

(1H-benzo[d]imidazol-2-yl)(p-tolyl)methanone

(1-(4-(tert-butyl)benzyl)-1H-benzo[d]imidazol-2-yl)(p-tolyl)methanone

1-(4-(tert-butyl)benzyl)-2-(4-methylbenzyl)-1H-benzo[d]imidazole

2-(4-methylbenzyl)-1-tosyl-1H-benzo[d]imidazole

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