Propanoic acid, 2-[(4-chlorophenyl)thio]-, methyl ester

Base Information

• Chemical Name: Propanoic acid, 2-[(4-chlorophenyl)thio]-, methyl ester
• CAS No.: 103247-65-0
• Molecular Formula: C10H11ClO2S
• Molecular Weight: 230.715
• DSSTox Substance ID: DTXSID90459109
• Nikkaji Number: J1.773.492J
• Mol file: 103247-65-0.mol

Synonyms:103247-65-0;Propanoic acid, 2-[(4-chlorophenyl)thio]-, methyl ester;methyl 2-[(4-chlorophenyl)sulfanyl]propanoate;SCHEMBL14346648;DTXSID90459109;STL406979;AKOS008355330;2-(4-Chlorophenylthio)propanoic acid methyl ester

Chemical Property of Propanoic acid, 2-[(4-chlorophenyl)thio]-, methyl ester

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 230.0168285
• Heavy Atom Count: 14
• Complexity: 191

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)OC)SC1=CC=C(C=C1)Cl

Technology Process of Propanoic acid, 2-[(4-chlorophenyl)thio]-, methyl ester

There total 4 articles about Propanoic acid, 2-[(4-chlorophenyl)thio]-, methyl 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: 88.0%

4,4'-dichlorodiphenyl disulfide (1142-19-4) + Methyl 2-bromopropionate (5445-17-0) → 2-<(4-Chlorphenyl)thio>-propansaeuremethylester (103247-65-0)

Guidance literature:

With [{Ti(salophen)H₂O}₂O][OSO₂C₄F₉]₂; zinc; In tetrahydrofuran; at 20 ℃; for 2h; Inert atmosphere;

DOI:10.1016/j.tet.2019.130750

Reference yield: 71.0%

Methyl 2-bromopropionate (5445-17-0) + p-Chlorothiophenol (106-54-7) → 2-<(4-Chlorphenyl)thio>-propansaeuremethylester (103247-65-0)

Guidance literature:

With sodium ethanolate; In 1,4-dioxane; 1.) room temp., 12 h, 2.) 60 deg C, 1 h;

DOI:10.1002/ardp.19863190317

Reference yield:

diazomethane (186581-53-3,908094-01-9,334-88-3) + 2-<(4-chlorophenyl)thio>propionic acid (18527-12-3) → 2-<(4-Chlorphenyl)thio>-propansaeuremethylester (103247-65-0)

Guidance literature:

In diethyl ether;

DOI:10.1021/ac0204193

upstream raw materials:

Methyl 2-bromopropionate

p-Chlorothiophenol

diazomethane

2-<(4-chlorophenyl)thio>propionic acid

Downstream raw materials:

(+)-(R)-2-(4-Chlorothiophenoxy)propanoic acid

(S)-2-(4-chlorophenylthio)propanoic acid

2-<(4-Chlorphenyl)sulfinyl>-propansaeuremethylester