2-[(4-methylphenoxy)methyl]-1H-benzimidazole

Base Information

• Chemical Name: 2-[(4-methylphenoxy)methyl]-1H-benzimidazole
• CAS No.: 3156-25-0
• Molecular Formula: C15H14N2O
• Molecular Weight: 238.28400
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID30351431
• Wikidata: Q82127839
• ChEMBL ID: CHEMBL355159
• Mol file: 3156-25-0.mol

Synonyms:2-[(4-methylphenoxy)methyl]-1H-benzimidazole;3156-25-0;CHEMBL355159;2-((p-tolyloxy)methyl)-1H-benzo[d]imidazole;2-[(4-methylphenoxy)methyl]-1H-1,3-benzodiazole;Cambridge id 6943767;Oprea1_234047;MLS000677123;SCHEMBL2248644;DTXSID30351431;HMS2615B22;2-p-Tolyloxymethyl-1H-benzoimidazole;BDBM50404926;MFCD02582711;STL289938;AKOS000274975;LS-09934;SMR000270942;BB 0219566;CS-0307743;EU-0012067;EN300-06192;Z56919263;F1115-0052

Chemical Property of 2-[(4-methylphenoxy)methyl]-1H-benzimidazole

Chemical Property:

• Melting Point: 148 °C
• Boiling Point: 479.3±28.0 °C(Predicted)
• PKA: 11.41±0.10(Predicted)
• PSA: 37.91000
• Density: 1?+-.0.06 g/cm3(Predicted)
• LogP: 3.45030
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 238.110613074
• Heavy Atom Count: 18
• Complexity: 263

Purity/Quality:

97% ^*data from raw suppliers

2-[(4-Methylphenoxy)methyl]-1H-benzimidazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)OCC2=NC3=CC=CC=C3N2

Technology Process of 2-[(4-methylphenoxy)methyl]-1H-benzimidazole

There total 1 articles about 2-[(4-methylphenoxy)methyl]-1H-benzimidazole 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:

2-(4-methylphenoxy)acetic acid (940-64-7) + 1,2-diamino-benzene (95-54-5) → 2-p-tolyloxymethyl-1H-benzoimidazole (3156-25-0)

Guidance literature:

With hydrogenchloride; Heating;

DOI:10.1021/jm00350a002

Reference yield: 89.0%

acrylonitrile (107-13-1,25014-41-9) + 2-p-tolyloxymethyl-1H-benzoimidazole (3156-25-0) → C18H17N3O (1258865-49-4)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; for 0.0583333h; Microwave irradiation;

DOI:10.3184/030823410X12798039968476

Reference yield: 85.9%

2-p-tolyloxymethyl-1H-benzoimidazole (3156-25-0) + 2-chloro-ethanol (107-07-3) → C17H18N2O2

Guidance literature:

With tetrabutylammomium bromide; sodium hydroxide; In acetone; at 65 ℃; for 5h;

upstream raw materials:

2-(4-methylphenoxy)acetic acid

1,2-diamino-benzene

Downstream raw materials:

C₁₈H₁₇N₃O

Refernces

• 1、 Wu, Jiacheng,Zhao, Li,Zhao, Changqing,Wang, Zhiyuan,Gu, Haibin,Chen, Wuyong. "Synthesis and molecular structures of 1-hydroxyethyl-2-(p-substituted) phenoxymethyl benzimidazoles". . p. 974 - 980. Retrieved 2016/11/22.
• 2、 Murray, Michael,Ryan, Adrian J.,Little, Peter J.. "Inhibition of Rat Hepatic Microsomal Aminopyrine N-Demethylase Activity by Benzimidazole Derivatives. Quantitative Structure-Activity Relationships". . p. 887 - 892. Retrieved 2007/10/02.