Ethyl 3-(4-chlorophenyl)sulfonylpropanoate

Base Information

• Chemical Name: Ethyl 3-(4-chlorophenyl)sulfonylpropanoate
• CAS No.: 14725-83-8
• Molecular Formula: C₁₁H₁₃ClO₄S
• Molecular Weight: 276.741
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID20389086
• Nikkaji Number: J266.774F
• Wikidata: Q82184503
• Mol file: 14725-83-8.mol

Synonyms:14725-83-8;ethyl 3-(4-chlorophenyl)sulfonylpropanoate;3-(4-Chloro-benzenesulfonyl)-propionic acid ethyl ester;STK290859;3-(4-Chlorophenylsulfonyl)propionic acid ethyl ester;SCHEMBL7870795;DTXSID20389086;AKOS001584764;CCG-103143;EU-0066767;ethyl 3-[(4-chlorophenyl)sulfonyl]propanoate;SR-01000389215;SR-01000389215-1

Chemical Property of Ethyl 3-(4-chlorophenyl)sulfonylpropanoate

Chemical Property:

• PSA: 68.82000
• LogP: 3.14770
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 276.0223078
• Heavy Atom Count: 17
• Complexity: 339

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CCS(=O)(=O)C1=CC=C(C=C1)Cl

Technology Process of Ethyl 3-(4-chlorophenyl)sulfonylpropanoate

There total 3 articles about Ethyl 3-(4-chlorophenyl)sulfonylpropanoate 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: 93.0%

p-chlorophenylsulfonyl hydrazide (2751-25-9) + ethyl acrylate (140-88-5,9003-32-1) → 3-[(4-chlorophenyl)sulfonyl]propanoic acid ethyl ester (14725-83-8)

Guidance literature:

In water; at 65 ℃; for 24h; Green chemistry;

DOI:10.1039/c4gc00932k

Reference yield:

4-chlorobenzenesulfonyl chloride (98-60-2) → 3-[(4-chlorophenyl)sulfonyl]propanoic acid ethyl ester (14725-83-8)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrazine hydrate / tetrahydrofuran / 0.5 h / 0 °C / Inert atmosphere

2: water / 24 h / 65 °C / Green chemistry

With hydrazine hydrate; In tetrahydrofuran; water;

DOI:10.1039/c4gc00932k

Reference yield:

sodium p-chlorobenzenesulphinate (14752-66-0) + ethyl acrylate (140-88-5,9003-32-1) → 3-[(4-chlorophenyl)sulfonyl]propanoic acid ethyl ester (14725-83-8)

Guidance literature:

With sodium dihydrogenphosphate; hydroquinone; In 1,4-dioxane; water;

upstream raw materials:

sodium p-chlorobenzenesulphinate

ethyl acrylate

p-chlorophenylsulfonyl hydrazide

4-chlorobenzenesulfonyl chloride

Refernces