Ethyl 4-(2-(4-chlorophenyl)-1-cyanovinyl)benzoate

Base Information

• Chemical Name: Ethyl 4-(2-(4-chlorophenyl)-1-cyanovinyl)benzoate
• CAS No.: 6273-33-2
• Molecular Formula: C14H18N2O3S
• Molecular Weight: 311.7623
• NSC Number: 32918
• UNII: DXV4ZCX9ZP
• Mol file: 6273-33-2.mol

Synonyms:DXV4ZCX9ZP;Ethyl 4-(2-(4-chlorophenyl)-1-cyanovinyl)benzoate;6273-33-2;UNII-DXV4ZCX9ZP;NSC32918;NSC 32918;NSC-32918;ethyl 4-[(Z)-2-(4-chlorophenyl)-1-cyano-vinyl]benzoate

Chemical Property of Ethyl 4-(2-(4-chlorophenyl)-1-cyanovinyl)benzoate

Chemical Property:

• Vapor Pressure: 1.61E-08mmHg at 25°C
• Boiling Point: 456.5°Cat760mmHg
• Flash Point: 229.9°C
• Density: 1.235g/cm³
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 311.0713064
• Heavy Atom Count: 22
• Complexity: 449

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC=C(C=C1)C(=CC2=CC=C(C=C2)Cl)C#N
• Isomeric SMILES: CCOC(=O)C1=CC=C(C=C1)/C(=C/C2=CC=C(C=C2)Cl)/C#N

Technology Process of Ethyl 4-(2-(4-chlorophenyl)-1-cyanovinyl)benzoate

There total 11 articles about Ethyl 4-(2-(4-chlorophenyl)-1-cyanovinyl)benzoate 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:

4-bromomethylbenzoic Acid (6232-88-8) → 4-[(E)-2-(4-chloro-phenyl)-1-cyano-vinyl]-benzoic acid ethyl ester (6273-33-2)

Guidance literature:

Multi-step reaction with 4 steps

1: methanol. H₂SO₄

2: NaCN

3: ethanolic sodium ethylate

4: Irradiation_.UV-Licht

With sulfuric acid; sodium cyanide; sodium ethanolate;

DOI:10.1021/jo50007a020

Reference yield:

4-bromomethylbenzoic Acid (6232-88-8) → 4-[(Z)-2-(4-chloro-phenyl)-1-cyano-vinyl]-benzoic acid ethyl ester (6273-33-2)

Guidance literature:

Multi-step reaction with 3 steps

1: methanol. H₂SO₄

2: NaCN

3: ethanolic sodium ethylate

With sulfuric acid; sodium cyanide; sodium ethanolate;

DOI:10.1021/jo50007a020

Reference yield:

Methyl 4-(bromomethyl)benzoate (2417-72-3) → 4-[(E)-2-(4-chloro-phenyl)-1-cyano-vinyl]-benzoic acid ethyl ester (6273-33-2)

Guidance literature:

Multi-step reaction with 3 steps

1: NaCN

2: ethanolic sodium ethylate

3: Irradiation_.UV-Licht

With sodium cyanide; sodium ethanolate;

DOI:10.1021/jo50007a020

upstream raw materials:

4-bromomethylbenzoic Acid

Methyl 4-(bromomethyl)benzoate

para-bromotoluene

methyl 4-(cyanomethyl)benzoate

Downstream raw materials:

4-[(Z)-2-(4-chloro-phenyl)-1-cyano-vinyl]-benzoic acid