2-(1H-imidazol-1-yl)-1-phenylethanamine

Base Information

• Chemical Name: 2-(1H-imidazol-1-yl)-1-phenylethanamine
• CAS No.: 24169-72-0
• Molecular Formula: C11H13N3
• Molecular Weight: 187.244
• Hs Code.: 2933290090
• European Community (EC) Number: 871-683-8
• DSSTox Substance ID: DTXSID60409373
• Mol file: 24169-72-0.mol

Synonyms:2-(1H-imidazol-1-yl)-1-phenylethanamine;24169-72-0;2-imidazol-1-yl-1-phenylethanamine;2-(1H-imidazol-1-yl)-1-phenylethan-1-amine;TimTec1_006194;SCHEMBL3670452;DTXSID60409373;HMS1551J12;ZAA16972;AKOS002673438;AKOS016046638;BS-37576;EN300-381008;2-(1H-Imidazol-1-yl)-1-phenylethanamine x2hcl 0.6h2o

Chemical Property of 2-(1H-imidazol-1-yl)-1-phenylethanamine

Chemical Property:

• Vapor Pressure: 2.77E-06mmHg at 25°C
• Boiling Point: 389.8°C at 760 mmHg
• PKA: 8.28±0.10(Predicted)
• Flash Point: 189.6°C
• PSA: 43.84000
• Density: 1.13g/cm³
• LogP: 2.28340
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 187.110947427
• Heavy Atom Count: 14
• Complexity: 166

Purity/Quality:

98% ^*data from raw suppliers

[2-(1H-imidazol-1-yl)-1-phenylethyl]aminedihydrochloridehydrate 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(CN2C=CN=C2)N

Technology Process of 2-(1H-imidazol-1-yl)-1-phenylethanamine

There total 3 articles about 2-(1H-imidazol-1-yl)-1-phenylethanamine 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: 76.0%

N-hydroxy-2-(1H-imidazol-1-yl)-1-phenylethanimine (24169-71-9) → 2-(1H-imidazol-1-yl)-1-phenylethane-1-amine (24169-72-0)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; at 20 ℃; for 28h; under 51714.8 Torr;

Reference yield:

tert-butyl (2-(1H-imidazol-1-yl)-1-phenethyl) carbamate → 2-(1H-imidazol-1-yl)-1-phenylethane-1-amine (24169-72-0)

Guidance literature:

With hydrogenchloride; In ethanol; at 20 ℃;

Reference yield:

2-(1H-imidazol-1-yl)-1-phenylethanone (24155-34-8) → 2-(1H-imidazol-1-yl)-1-phenylethane-1-amine (24169-72-0)

Guidance literature:

Multi-step reaction with 2 steps

1: hydroxylamine

2: 76 percent / hydrogen / 10 percent palladium on charcoal / ethanol / 28 h / 20 °C / 51714.8 Torr

With hydrogen; hydroxylamine; palladium on activated charcoal; In ethanol; 1: Condensation / 2: Catalytic hydrogenation;

upstream raw materials:

N-hydroxy-2-(1H-imidazol-1-yl)-1-phenylethanimine

2-(1H-imidazol-1-yl)-1-phenylethanone

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