(1-Methylbenzimidazol-2-yl)methylazanium

Base Information

• Chemical Name: (1-Methylbenzimidazol-2-yl)methylazanium
• CAS No.: 20028-40-4
• Molecular Formula: C9H11N3
• Molecular Weight: 161.206
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID70942024
• Wikidata: Q72487812
• Mol file: 20028-40-4.mol

Synonyms:(1-methylbenzimidazol-2-yl)methylazanium;DTXSID70942024;(1-methyl-2-benzimidazolyl)methylammonium;(1-Methyl-1H-benzimidazol-2-yl)methanaminium;A814180

Chemical Property of (1-Methylbenzimidazol-2-yl)methylazanium

Chemical Property:

• Vapor Pressure: 0.000143mmHg at 25°C
• Melting Point: 261 °C
• Boiling Point: 332.7 °C at 760 mmHg
• PKA: 8.51±0.29(Predicted)
• Flash Point: 155 °C
• PSA: 43.84000
• Density: 1.22 g/cm³
• LogP: 1.73230
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 162.103122396
• Heavy Atom Count: 12
• Complexity: 160

Purity/Quality:

99%, ^*data from raw suppliers

2-(Aminomethyl)-1-methyl-1H-benzimidazole 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=CC=CC=C2N=C1C[NH3+]
• Uses: 1-Methyl-2-benzimidazolemethanamine inhibits binding of p34 protein to NEDD4-1 protein and can be used as an anti-cancer agent. It can also be used as an HIV integrase inhibitor.

Technology Process of (1-Methylbenzimidazol-2-yl)methylazanium

There total 9 articles about (1-Methylbenzimidazol-2-yl)methylazanium 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: 100.0%

tert-butyl ((1-methyl-1H-benzo[d]imidazol-2-yl)methyl)carbamate → C-(1-methyl-1H-benzoimidazol-2-yl)-methylamine (20028-40-4)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 2h;

Reference yield: 90.0%

2-chloromethyl-1-methyl-1H-benzimidazole (4760-35-4) → C-(1-methyl-1H-benzoimidazol-2-yl)-methylamine (20028-40-4)

Guidance literature:

With ammonium hydroxide; sodium hydroxide; sodium carbonate; formamide; In 1,4-dioxane; for 3h;

DOI:10.1007/BF00534471

Reference yield: 88.0%

C15H21N6(1+)*Cl(1-) (1442637-90-2) → C-(1-methyl-1H-benzoimidazol-2-yl)-methylamine (20028-40-4)

Guidance literature:

C₁₅H₂₁N₆⁽¹⁺⁾*Cl^(1-); With hydrogenchloride; In ethanol; water; for 24h;

With potassium carbonate; In ethanol; water;

DOI:10.1002/chem.201203498

upstream raw materials:

N-methyl-1,2-phenylenediamine

GlyOEt*HCl

2-chloromethyl-1-methyl-1H-benzimidazole

1,2-diamino-benzene

Downstream raw materials:

(2-hydroxyphenyl)[5-(1-methyl-1H-benzimidazol-2-yl)-1H-pyrrol-3-yl]methanone

C₂₀H₂₀N₆O₂

bis(2,4-dimethylphenylthiomethyl)-(1-methylbenzimidazol-2-ylmethyl)amine

6-(2,3-dimethylphenyl)-4-N-[(1-methyl-1H-1,3-benzodiazol-2-yl)methyl]pyrimidine-2,4-diamine

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