[6-(1H-Imidazol-1-yl)pyridin-3-yl]methylamine

Base Information

• Chemical Name: [6-(1H-Imidazol-1-yl)pyridin-3-yl]methylamine
• CAS No.: 914637-08-4
• Molecular Formula: C9H10N4
• Molecular Weight: 174.2
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID301264757
• Mol file: 914637-08-4.mol

Synonyms:914637-08-4;[6-(1H-Imidazol-1-yl)pyridin-3-yl]methylamine;[6-(1H-imidazol-1-yl)pyridin-3-yl]methanamine;(6-imidazol-1-ylpyridin-3-yl)methanamine;(6-(1H-imidazol-1-yl)pyridin-3-yl)methanamine;SCHEMBL1461630;DTXSID301264757;MFCD08235200;AKOS000264139;SY167997;TS-01469;[6-(1-Imidazolyl)-3-pyridyl]methanamine;6-(1H-Imidazol-1-yl)-3-pyridinemethanamine;EN300-30357;G41632;F8889-8267

Chemical Property of [6-(1H-Imidazol-1-yl)pyridin-3-yl]methylamine

Chemical Property:

• PSA: 56.73000
• LogP: 1.42630
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 174.090546336
• Heavy Atom Count: 13
• Complexity: 162

Purity/Quality:

NLT 98% ^*data from raw suppliers

[6-(1H-Imidazol-1-yl)pyridin-3-yl]methylamine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=NC=C1CN)N2C=CN=C2

Technology Process of [6-(1H-Imidazol-1-yl)pyridin-3-yl]methylamine

There total 2 articles about [6-(1H-Imidazol-1-yl)pyridin-3-yl]methylamine 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:

6-(1H-imidazol-1-yl)nicotinonitrile (923156-23-4) → (6-(1H-imidazol-1-yl)pyridin-3-yl)methanamine (914637-08-4)

Guidance literature:

With ammonia; hydrogen; Raney Nickel; In methanol; at 25 ℃; for 4h; under 15001.5 Torr;

Reference yield:

6-chloronicotinonitrile (33252-28-7) → (6-(1H-imidazol-1-yl)pyridin-3-yl)methanamine (914637-08-4)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / dimethyl sulfoxide / 5.5 h / 100 °C

2: hydrogen; ammonia / Raney Nickel / methanol / 4 h / 25 °C / 15001.5 Torr

With ammonia; hydrogen; potassium carbonate; Raney Nickel; In methanol; dimethyl sulfoxide;

Reference yield: 17.0%

bis(trichloromethyl) carbonate (32315-10-9) + (6-(1H-imidazol-1-yl)pyridin-3-yl)methanamine (914637-08-4) + p-aminophenyl phenyl sulfone (7019-01-4) → 3-[4-(benzenesulfonyl)phenyl]-1-{[6-(1H-imidazol-1-yl)pyridin-3-yl]methyl}urea (1363131-27-4)

Guidance literature:

bis(trichloromethyl) carbonate; p-aminophenyl phenyl sulfone; With triethylamine; In dichloromethane; at -10 - 25 ℃; for 1h;

(6-(1H-imidazol-1-yl)pyridin-3-yl)methanamine; In dichloromethane; at 25 ℃; for 16h;

DOI:10.1021/jm400186h

upstream raw materials:

6-chloronicotinonitrile

6-(1H-imidazol-1-yl)nicotinonitrile

Downstream raw materials:

4-(3-{[6-(1H-imidazol-1-yl)pyridin-3-yl]methyl}-4,4-dimethyI-5-oxo-2-thioxoimidazolidin-1-yl)-2-(trifluoromethyl)benzonitrile

3-[4-(benzenesulfonyl)phenyl]-1-{[6-(1H-imidazol-1-yl)pyridin-3-yl]methyl}urea

Refernces