(5-phenyl-1H-imidazol-2-yl)methanamine

Base Information

• Chemical Name: (5-phenyl-1H-imidazol-2-yl)methanamine
• CAS No.: 175531-38-1
• Molecular Formula: C10H11 N3
• Molecular Weight: 173.217
• Hs Code.: 2933290090
• European Community (EC) Number: 820-000-1
• Mol file: 175531-38-1.mol

Synonyms:(5-phenyl-1H-imidazol-2-yl)methanamine;175531-38-1;C-(5-PHENYL-1H-IMIDAZOL-2-YL)-METHYLAMINE;(5-PHENYL-1H-IMIDAZOL-2-YL)METHYLAMINE;(4-PHENYL-1H-IMIDAZOL-2-YL)METHANAMINE;1H-Imidazole-2-methanamine,5-phenyl-;1H-Imidazole-2-methanamine, 4-phenyl-;SCHEMBL1509683;MFCD06738991;AKOS009487400;AKOS015958179;AB28334;AB57926;CCG-358148;CS-0139391;FT-0731301;EN300-41714;1H-IMIDAZOLE-2-METHANAMINE, 5-PHENYL-;C77644;AB01003840-01;1-(4-PHENYL-1H-IMIDAZOL-2-YL)METHANAMINE;(5-Phenyl-1H-imidazol-2-yl)methanamine, AldrichCPR;1-(4-Phenyl-1H-imidazol-2-yl)methanamine, AldrichCPR

Chemical Property of (5-phenyl-1H-imidazol-2-yl)methanamine

Chemical Property:

• Melting Point: 121-123 °C
• Boiling Point: 436.8±28.0 °C(Predicted)
• PKA: 13.55±0.10(Predicted)
• PSA: 54.70000
• Density: 1.184±0.06 g/cm3(Predicted)
• LogP: 2.23570
• Storage Temp.: 2-8°C
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 173.095297364
• Heavy Atom Count: 13
• Complexity: 154

Purity/Quality:

97% ^*data from raw suppliers

C-(5-Phenyl-1H-imidazol-2-yl)-methylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CN=C(N2)CN

Technology Process of (5-phenyl-1H-imidazol-2-yl)methanamine

There total 5 articles about (5-phenyl-1H-imidazol-2-yl)methanamine 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: 98.0%

tert-butoxycarbonyl (4-phenyl-1H-imidazol-2-yl)methylamine (335243-57-7) → (4-phenyl-1H-imidazol-2-yl)methanamine (175531-38-1)

Guidance literature:

With trifluoroacetic acid; at 20 ℃; for 0.5h;

DOI:10.1016/j.bmc.2012.07.040

Reference yield:

benzyl (4-phenyl-1H-imidazol-2-yl)methylcarbamate → (4-phenyl-1H-imidazol-2-yl)methanamine (175531-38-1)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol;

DOI:10.1016/j.bmcl.2012.05.042

Reference yield:

N-Benzyloxycarbonyl-glycinphenacyl-amid (18807-52-8) → (4-phenyl-1H-imidazol-2-yl)methanamine (175531-38-1)

Guidance literature:

Multi-step reaction with 2 steps

1: ammonium acetate; acetic acid / 7 h / Reflux

2: palladium 10% on activated carbon; hydrogen / methanol

With palladium 10% on activated carbon; ammonium acetate; hydrogen; acetic acid; In methanol;

DOI:10.1016/j.bmcl.2012.05.042

upstream raw materials:

tert-butoxycarbonyl (4-phenyl-1H-imidazol-2-yl)methylamine

N-Benzyloxycarbonyl-glycinphenacyl-amid

2-aminoacetophenone hydrochloride

Downstream raw materials:

C₃₆H₄₁N₅O₅

N-methyl-1-(4-phenyl-1H-imidazol-2-yl)methanamine

C₁₃H₁₇N₃

C₁₉H₁₅ClN₄