3-(4-Chlorobenzenesulfonyl)butyric acid

Base Information

• Chemical Name: 3-(4-Chlorobenzenesulfonyl)butyric acid
• CAS No.: 175205-43-3
• Molecular Formula: C₁₀H₁₁ClO₄S
• Molecular Weight: 262.714
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID80372292
• Mol file: 175205-43-3.mol

Synonyms:175205-43-3;3-(4-chlorobenzenesulfonyl)butyric acid;3-(4-chlorophenyl)sulfonylbutanoic acid;3-((4-Chlorophenyl)sulfonyl)butanoic acid;3-(4-Chlorophenylsulfonyl)butyric acid;3-(4'-Chlorobenzenesulfonyl)Butyric Acid;Maybridge3_006195;3-(4-chlorobenzenesulphonyl)butyric acid;sulfobromophthaleinsodium;Butanoic acid, 3-[(4-chlorophenyl)sulfonyl]-;Oprea1_533089;SCHEMBL5741138;DTXSID80372292;NPUIQANQRDIHLU-UHFFFAOYSA-N;HMS1448J13;MFCD00052471;3-(4-Chlorophenylsulfonyl)butyricacid;AKOS009462956;CCG-245506;3-(4-chlorophenylsulfonyl)butanoic acid;IDI1_017582;3-(4-chlorobenzenesulfonyl)butanoic acid;3-((4-chlorophenyl)sulfonyl)butyric acid;BP-13139;BS-21753;3-(4-Chlorobenzene-1-sulfonyl)butanoic acid;CS-0206979;FT-0643690;?3-(4-CHLOROBENZENESULFONYL)BUTYRIC ACID;A811942;3-(4'-chlorobenzenesulfonyl)butyric acid, AldrichCPR;BRD-A91438658-001-01-2

Chemical Property of 3-(4-Chlorobenzenesulfonyl)butyric acid

Chemical Property:

• Vapor Pressure: 8.55E-10mmHg at 25°C
• Refractive Index: 1.558
• Boiling Point: 474.1°C at 760 mmHg
• Flash Point: 240.5°C
• PSA: 79.82000
• Density: 1.399g/cm³
• LogP: 3.05770
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 262.0066577
• Heavy Atom Count: 16
• Complexity: 338

Purity/Quality:

97% ^*data from raw suppliers

3-(4′-chlorobenzenesulfonyl)butyric acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 41

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC(=O)O)S(=O)(=O)C1=CC=C(C=C1)Cl
• Uses: 3-(4''-Chlorobenzenesulfonyl)butyric Acid has been tested as a potential sweetener.

Technology Process of 3-(4-Chlorobenzenesulfonyl)butyric acid

There total 2 articles about 3-(4-Chlorobenzenesulfonyl)butyric acid 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:

3-(4-chlorophenylthio)butanoic acid (90919-34-9) → 3-(p-chlorophenylsulfonyl)butanoic acid (175205-43-3)

Guidance literature:

With dihydrogen peroxide; acetic acid; In water; Heating;

DOI:10.1016/j.bmc.2004.10.056

Reference yield:

p-Chlorothiophenol (106-54-7) → 3-(p-chlorophenylsulfonyl)butanoic acid (175205-43-3)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / tetrahydrofuran / 0 - 20 °C

2: H₂O₂; acetic acid / H₂O / Heating

With dihydrogen peroxide; acetic acid; triethylamine; In tetrahydrofuran; water;

DOI:10.1016/j.bmc.2004.10.056

upstream raw materials:

3-(4-chlorophenylthio)butanoic acid

p-Chlorothiophenol

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