Cinnamic acid, 4-chlorothio-, O-ethyl ester

Base Information

• Chemical Name: Cinnamic acid, 4-chlorothio-, O-ethyl ester
• CAS No.: 117666-82-7
• Molecular Formula: C₁₁H₁₁ClOS
• Molecular Weight: 226.727
• Wikidata: Q76390019
• Mol file: 117666-82-7.mol

Synonyms:Cinnamic acid, 4-chlorothio-, O-ethyl ester;3-(4-Chlorophenyl)-2-propenethioic acid O-ethyl ester;2-Propenethioic acid, 3-(4-chlorophenyl)-, O-ethyl ester;117666-82-7;C11H11ClOS;C11-H11-Cl-O-S;LS-123533

Chemical Property of Cinnamic acid, 4-chlorothio-, O-ethyl ester

Chemical Property:

• Vapor Pressure: 0.000855mmHg at 25°C
• Boiling Point: 314.5°C at 760 mmHg
• Flash Point: 144°C
• Density: 1.214g/cm³
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 226.0219138
• Heavy Atom Count: 14
• Complexity: 207

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=S)C=CC1=CC=C(C=C1)Cl
• Isomeric SMILES: CCOC(=S)/C=C/C1=CC=C(C=C1)Cl

Technology Process of Cinnamic acid, 4-chlorothio-, O-ethyl ester

There total 5 articles about Cinnamic acid, 4-chlorothio-, O-ethyl ester 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: 40.0%

O-ethyl (diethoxyphosphinyl)thioacetate (22624-52-8) + 4-chlorobenzaldehyde (104-88-1) → (E)-3-(4-Chloro-phenyl)-thioacrylic acid O-ethyl ester (94991-53-4,117666-82-7)

Guidance literature:

With sodium hydride; In tetrahydrofuran; 1.) 6 deg C, 1 h, 2.) 1 h;

Reference yield:

(E)-3-(4-Chloro-phenyl)-acrylimidic acid ethyl ester (94991-58-9) → (E)-3-(4-Chloro-phenyl)-thioacrylic acid O-ethyl ester (94991-53-4,117666-82-7)

Guidance literature:

With hydrogen sulfide; In pyridine; triethylamine; at 0 ℃; Yield given;

Reference yield:

O-Ethyl thioacetate (926-67-0) + 4-chlorobenzaldehyde (104-88-1) → (E)-3-(4-Chloro-phenyl)-thioacrylic acid O-ethyl ester (117666-82-7)

Guidance literature:

With sodium ethanolate; In ethanol; at 5 ℃;

upstream raw materials:

O-Ethyl thioacetate

4-chlorobenzaldehyde

O-ethyl (diethoxyphosphinyl)thioacetate

(E)-3-(4-Chloro-phenyl)-acrylimidic acid ethyl ester