ethyl 2-[4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-methoxyphenoxy]acetate

Base Information

• Chemical Name: ethyl 2-[4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-methoxyphenoxy]acetate
• CAS No.: 5533-26-6
• Molecular Formula: C21H19N3O4
• Molecular Weight: 377.3933
• DSSTox Substance ID: DTXSID70386005

Synonyms:5533-26-6;ethyl 2-[4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-methoxyphenoxy]acetate;CDS1_004267;CBMicro_023851;MixCom6_000875;DivK1c_005307;DTXSID70386005

Chemical Property of ethyl 2-[4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-methoxyphenoxy]acetate

Chemical Property:

• Vapor Pressure: 5.11E-14mmHg at 25°C
• Boiling Point: 592.7°Cat760mmHg
• Flash Point: 312.2°C
• Density: 1.289g/cm³
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 377.13755610
• Heavy Atom Count: 28
• Complexity: 614

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)COC1=C(C=C(C=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)OC

Technology Process of ethyl 2-[4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-methoxyphenoxy]acetate

There total 12 articles about ethyl 2-[4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-methoxyphenoxy]acetate 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: 92.0%

thiophenol (108-98-5) + phenylpropynoic acid ethyl ester (2216-94-6) → Ethyl (Z)-3-phenyl-2-(phenylthio)propen-2-oate (5533-25-5,5533-26-6)

Guidance literature:

With indium(III) bromide; In dichloromethane; at 20 ℃; for 0.25h;

DOI:10.1246/cl.2007.1474

Reference yield: 81.0%

sodium thiophenolate (930-69-8) + benzaldehyde (100-52-7) + phenyliodoniumethoxycarbonylmethylenetriphenylphosphorane borofluoride → ethyl 3-phenyl-2-(phenylthio)propenoate (82751-37-9,5533-25-5,5533-26-6)

Guidance literature:

In N,N-dimethyl-formamide; for 0.05h; microwave irradiation;

DOI:10.1055/s-2002-34893

Reference yield: 78.0%

ethyl 3-nitrocinnamate (39090-91-0) + thiophenol (108-98-5) → ethyl 3-nitro-3-phenyl-2-phenylthio-propanoate + Ethyl (Z)-3-phenyl-2-(phenylthio)propen-2-oate (5533-25-5,5533-26-6)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In tetrahydrofuran; at 60 ℃; for 24h;

DOI:10.1016/j.tet.2006.03.015

upstream raw materials:

(phenylsulfanylmethyl)trimethylsilane

benzaldehyde

Diethyl carbonate

thiophenol

Downstream raw materials:

ethyl 4-(2-cyanophenyl)-3-phenyl-2-(phenylthio)butanoate

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