2-Phenyl-1H-benzoimidazol-4-ylamine

Base Information

• Chemical Name: 2-Phenyl-1H-benzoimidazol-4-ylamine
• CAS No.: 313494-64-3
• Molecular Formula: C₁₃H₁₁N₃
• Molecular Weight: 209.25
• European Community (EC) Number: 803-396-0
• Mol file: 313494-64-3.mol

Synonyms:2-Phenyl-1H-benzoimidazol-4-ylamine;313494-64-3;2-phenyl-1H-benzimidazol-4-amine;2-Phenyl-3H-benzoimidazole-4-ylamine;aminophenylbenzimidazole;Oprea1_273341;Oprea1_559609;SCHEMBL1895948;PVNHYDDCQMHWAL-UHFFFAOYSA-N;CCG-15110;AKOS003238943;AKOS013003909;2-phenyl-1h-benzo[d]imidazol-4-ylamine;2-PHENYL-1H-1,3-BENZODIAZOL-4-AMINE;2-Phenyl-1H-benzoimidazol-4-ylamine, AldrichCPR;SR-01000389459;SR-01000389459-1

Chemical Property of 2-Phenyl-1H-benzoimidazol-4-ylamine

Chemical Property:

• Melting Point: 210-211 °C(Solv: ethanol (64-17-5))
• Boiling Point: 474.8±37.0 °C(Predicted)
• PKA: 12.45±0.30(Predicted)
• Density: 1.286±0.06 g/cm3(Predicted)
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 209.095297364
• Heavy Atom Count: 16
• Complexity: 237

Purity/Quality:

99% ^*data from raw suppliers

2-Phenyl-1H-benzoimidazol-4-ylamine Aldrich ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NC3=C(C=CC=C3N2)N

Technology Process of 2-Phenyl-1H-benzoimidazol-4-ylamine

There total 4 articles about 2-Phenyl-1H-benzoimidazol-4-ylamine 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: 79.0%

4-nitro-2-phenyl-1H-benzo[d]imidazole (67152-21-0) → 2-phenyl-3H-benzoimidazole-4-ylamine (313494-64-3)

Guidance literature:

With iron; ammonium chloride; In tetrahydrofuran; methanol; water; at 60 ℃; for 1h;

Reference yield:

4-nitro-2-phenyl-2,3-dihydro-1H-benzoimidazole (1300037-06-2) → 2-phenyl-3H-benzoimidazole-4-ylamine (313494-64-3)

Guidance literature:

Multi-step reaction with 2 steps

1: acetic acid / 3 h / 80 °C

2: ammonium chloride; iron / water; tetrahydrofuran; methanol / 1 h / 60 °C

With iron; ammonium chloride; acetic acid; In tetrahydrofuran; methanol; water;

Reference yield:

benzaldehyde (100-52-7) → 2-phenyl-3H-benzoimidazole-4-ylamine (313494-64-3)

Guidance literature:

Multi-step reaction with 3 steps

1: methanol / 48 h / 80 °C

2: acetic acid / 3 h / 80 °C

3: ammonium chloride; iron / water; tetrahydrofuran; methanol / 1 h / 60 °C

With iron; ammonium chloride; acetic acid; In tetrahydrofuran; methanol; water;

upstream raw materials:

benzaldehyde

2,3-diamino-nitrobenzene

4-nitro-2-phenyl-2,3-dihydro-1H-benzoimidazole

4-nitro-2-phenyl-1H-benzo[d]imidazole

Downstream raw materials:

cyclopentyl-(2-phenyl-3H-benzimidazol-4-yl)-amine

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