1-Methylbenzimidazole

Base Information

• Chemical Name: 1-Methylbenzimidazole
• CAS No.: 1632-83-3
• Molecular Formula: C8H8N2
• Molecular Weight: 132.165
• Hs Code.: 29339980
• NSC Number: 42115
• UNII: 12LW89N19Y
• DSSTox Substance ID: DTXSID90167530
• Nikkaji Number: J324.896H
• Wikidata: Q27251417
• ChEMBL ID: CHEMBL345855
• Mol file: 1632-83-3.mol

Synonyms:1-methylbenzimidazole;1632-83-3;1H-Benzimidazole, 1-methyl-;1-Methyl-1H-benzimidazole;1-methyl-1H-benzo[d]imidazole;1-methyl-1H-1,3-benzodiazole;1-methyl benzimidazole;1-methyl-benzimidazole;UNII-12LW89N19Y;12LW89N19Y;MFCD00192275;NSC-42115;NSC42115;n-methylbenzimidazole;1 -methylbenzimidazole;SCHEMBL5399;1-Methylbenzimidazole, 99%;1-MethylbenZimidaZole, 98%;nsc 42115;CHEMBL345855;DTXSID90167530;HMS1763B14;AKOS001063880;CS-W011088;AC-24249;AS-19274;SY042696;FT-0633720;M2173;EN300-16094;F10497;A810463;J-010028;Q27251417;Z53833303

Chemical Property of 1-Methylbenzimidazole

Chemical Property:

• Vapor Pressure: 0.0164mmHg at 25°C
• Melting Point: 59-62 °C
• Refractive Index: 1.609
• Boiling Point: 255.375 °C at 760 mmHg
• PKA: 5.40±0.10(Predicted)
• Flash Point: 108.248 °C
• PSA: 17.82000
• Density: 1.113 g/cm³
• LogP: 1.57330
• Storage Temp.: Store below +30°C.
• Solubility.: Soluble in methanol.
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 132.068748264
• Heavy Atom Count: 10
• Complexity: 124

Purity/Quality:

98%min ^*data from raw suppliers

1-Methylbenzimidazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-37/38-41
• Safety Statements: 26-36/39

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CN1C=NC2=CC=CC=C21
• General Description: 1-Methylbenzimidazole is a benzimidazole derivative that was studied in the context of free-radical hydroxymethylation, where it demonstrated reactivity under conditions involving ammonium persulfate, methanol, sulfuric acid, and silver ion catalysis. The study noted that its hydroxymethylation yield was influenced by the oxidation potential of intermediate benzimidazolium cation radicals, though it exhibited lower activity compared to quinoline in radical addition reactions.

Technology Process of 1-Methylbenzimidazole

There total 113 articles about 1-Methylbenzimidazole 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: 80.0%

4-methoxy-benzylamine (2393-23-9) + N-methyl-1,2-phenylenediamine (4760-34-3) → 1-Methylbenzimidazole (1632-83-3) + 1-methyl-2-(4-methoxyphenyl)-1H-benzimidazole (2620-82-8)

Guidance literature:

With C₈H₇NO₃; copper(ll) bromide; In methanol; at 45 ℃; for 24h; Green chemistry;

DOI:10.1002/ejoc.201501520

Reference yield: 78.0%

4-(1,1-dimethylethyl)-benzenemethanamine (39895-55-1) + N-methyl-1,2-phenylenediamine (4760-34-3) → 1-Methylbenzimidazole (1632-83-3) + 2-(4-(tert-butyl)phenyl)-1-methyl-1H-benzo[d]imidazole (1437793-93-5)

Guidance literature:

With C₈H₇NO₃; copper(ll) bromide; In methanol; at 45 ℃; for 24h; Green chemistry;

DOI:10.1002/ejoc.201501520

Reference yield: 77.0%

N-methyl-1,2-phenylenediamine (4760-34-3) + para-methylbenzylamine (104-84-7) → 1-Methylbenzimidazole (1632-83-3) + 1-methyl-2-p-tolyl-1H-benzoimidazole (2620-78-2)

Guidance literature:

With C₈H₇NO₃; copper(ll) bromide; In methanol; at 45 ℃; for 24h; Green chemistry;

DOI:10.1002/ejoc.201501520

upstream raw materials:

1,3,5-Triazine

N-methyl-1,2-phenylenediamine

benzoimidazole

potassium methyl sulfate

Downstream raw materials:

1-methyl-1H-benzo[d]imidazole-2-carboxylic acid

1-Methyl-3-<1,3 dimethyl-2.4,6-trioxo-hexahydro-pyrimidin-5-yl>-benzimidazolium-betain

1-benzyl-3-methyl-1H-benzimidazol-3-ium iodide

formic acid-[2-(2,4-dinitro-anilino)-N-methyl-anilide]

Refernces

FREE-RADICAL HYDROXYMETHYLATION OF BENZIMIDAZOLE

10.1007/BF00506621

The research investigates the free-radical hydroxymethylation of benzimidazole derivatives and the condensation of 3,4-dicyano-5-aminopyrazole with ethyl orthoformate. In the hydroxymethylation study, benzimidazole derivatives such as 1-methylbenzimidazole and 1-phenylbenzimidazole were subjected to free-radical hydroxymethylation using ammonium persulfate in methanol and sulfuric acid, with silver ions as a catalyst to enhance yields. The study found that benzimidazole displayed lower activity than quinoline in the addition of the hydroxymethyl radical, and the yields of hydroxymethylation products were influenced by the ability of intermediate benzimidazolium cation radicals to undergo oxidation. In the condensation study, 3,4-dicyano-5-aminopyrazole was reacted with ethyl orthoformate under different conditions to produce compounds like N-ethyl-3,4-dicyano-5-ethoxymethyleneaminopyrazole and 3,4-dicyano-5-ethoxymethyleneaminopyrazole. The formation of these products and their subsequent conversion to pyrazolo[3,4-d]pyrimidines using a methanol solution of ammonia were also explored.

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