ethyl 2-(1H-benzimidazol-2-yl)-3-phenylprop-2-enoate

Base Information

• Chemical Name: ethyl 2-(1H-benzimidazol-2-yl)-3-phenylprop-2-enoate
• CAS No.: 83520-66-5
• Molecular Formula: C18H16N2O2
• Molecular Weight: 292.337
• DSSTox Substance ID: DTXSID30308081
• Mol file: 83520-66-5.mol

Synonyms:83520-66-5;ethyl 2-(1H-benzimidazol-2-yl)-3-phenylprop-2-enoate;DTXSID30308081

Chemical Property of ethyl 2-(1H-benzimidazol-2-yl)-3-phenylprop-2-enoate

Chemical Property:

• Vapor Pressure: 3.76E-10mmHg at 25°C
• Boiling Point: 500.5°Cat760mmHg
• Flash Point: 256.5°C
• Density: 1.245g/cm³
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 292.121177757
• Heavy Atom Count: 22
• Complexity: 415

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(=CC1=CC=CC=C1)C2=NC3=CC=CC=C3N2

Technology Process of ethyl 2-(1H-benzimidazol-2-yl)-3-phenylprop-2-enoate

There total 3 articles about ethyl 2-(1H-benzimidazol-2-yl)-3-phenylprop-2-enoate 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: 77.0%

ethyl (1H-benzimidazol-2-yl)acetate (14741-71-0) + benzaldehyde (100-52-7) → ethyl 2-(1H-benzo[d]imidazol-2-yl)-3-phenylacrylate (83520-66-5)

Guidance literature:

With piperidine; In ethanol; for 3h; Reflux;

DOI:10.4314/bcse.v32i3.13

Reference yield:

diethyl malonate (105-53-3) → ethyl 2-(1H-benzo[d]imidazol-2-yl)-3-phenylacrylate (83520-66-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 1 h / 120 °C

2: piperidine / ethanol / 3 h / Reflux

With piperidine; In ethanol;

DOI:10.4314/bcse.v32i3.13

Reference yield:

1,2-diamino-benzene (95-54-5) → ethyl 2-(1H-benzo[d]imidazol-2-yl)-3-phenylacrylate (83520-66-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 1 h / 120 °C

2: piperidine / ethanol / 3 h / Reflux

With piperidine; In ethanol;

DOI:10.4314/bcse.v32i3.13

upstream raw materials:

ethyl (1H-benzimidazol-2-yl)acetate

benzaldehyde

1,2-diamino-benzene

diethyl malonate