N-(3-acetylphenyl)-2,5-dichlorobenzenesulfonamide

Base Information

• Chemical Name: N-(3-acetylphenyl)-2,5-dichlorobenzenesulfonamide
• CAS No.: 6110-72-1
• Molecular Formula: C14H11Cl2NO3S
• Molecular Weight: 344.213
• DSSTox Substance ID: DTXSID30357978
• Wikidata: Q82138200

Synonyms:N-(3-acetylphenyl)-2,5-dichlorobenzenesulfonamide;6110-72-1;CBMicro_031393;DTXSID30357978;STK408407;AKOS003271867;BIM-0031518.P001;AK-968/12163705

Chemical Property of N-(3-acetylphenyl)-2,5-dichlorobenzenesulfonamide

Chemical Property:

• Vapor Pressure: 2.47E-10mmHg at 25°C
• Boiling Point: 505.3°Cat760mmHg
• Flash Point: 259.4°C
• Density: 1.471g/cm³
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 342.9836698
• Heavy Atom Count: 21
• Complexity: 477

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl

Technology Process of N-(3-acetylphenyl)-2,5-dichlorobenzenesulfonamide

There total 4 articles about N-(3-acetylphenyl)-2,5-dichlorobenzenesulfonamide 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: 75.0%

(5-(2-bromobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-N-(4-methylpiperazin-1-yl)acetamide → (2-bromophenyl)-2-mercaptoacrylic acid (6110-72-1)

Guidance literature:

(5-(2-bromobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-N-(4-methylpiperazin-1-yl)acetamide; With sodium hydroxide; at 60 ℃; for 0.75h;

With hydrogenchloride; In water;

DOI:10.1016/j.bmc.2018.02.043

Reference yield:

(5-(2-bromobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid → (2-bromophenyl)-2-mercaptoacrylic acid (6110-72-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: bis-(2-oxo-3-oxazolidinyl)phosphoryl chloride; triethylamine / dichloromethane / 0.5 h / 0 °C

1.2: 20 °C

2.1: sodium hydroxide / 0.75 h / 60 °C

With bis-(2-oxo-3-oxazolidinyl)phosphoryl chloride; triethylamine; sodium hydroxide; In dichloromethane;

DOI:10.1016/j.bmc.2018.02.043

Reference yield:

ortho-bromobenzaldehyde (6630-33-7) → (2-bromophenyl)-2-mercaptoacrylic acid (6110-72-1)

Guidance literature:

Multi-step reaction with 3 steps

1.1: piperidine / ethanol / 1.5 h / 120 °C / Microwave irradiation

2.1: bis-(2-oxo-3-oxazolidinyl)phosphoryl chloride; triethylamine / dichloromethane / 0.5 h / 0 °C

2.2: 20 °C

3.1: sodium hydroxide / 0.75 h / 60 °C

With piperidine; bis-(2-oxo-3-oxazolidinyl)phosphoryl chloride; triethylamine; sodium hydroxide; In ethanol; dichloromethane; 1.1: |Knoevenagel Condensation;

DOI:10.1016/j.bmc.2018.02.043

upstream raw materials:

ortho-bromobenzaldehyde

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