2,3,4,6-Tetrachlorobenzoic acid

Base Information

• Chemical Name: 2,3,4,6-Tetrachlorobenzoic acid
• CAS No.: 50-40-8
• Molecular Formula: C₇H₂Cl₄O₂
• Molecular Weight: 259.904
• DSSTox Substance ID: DTXSID801304893
• Nikkaji Number: J152.977C

Synonyms:2,3,4,6-Tetrachlorobenzoic acid;50-40-8;SCHEMBL11504756;WXMDSEXWSOFZAR-UHFFFAOYSA-N;DTXSID801304893

Chemical Property of 2,3,4,6-Tetrachlorobenzoic acid

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 259.877940
• Heavy Atom Count: 13
• Complexity: 211

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=C(C(=C(C(=C1Cl)Cl)Cl)C(=O)O)Cl

Technology Process of 2,3,4,6-Tetrachlorobenzoic acid

There total 3 articles about 2,3,4,6-Tetrachlorobenzoic 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: 82.0%

2,3,4,6-tetrachloro-1-(trichloromethyl)benzene (126300-29-6) → 2,3,4,6-tetrachlorobenzoic acid (50-40-8)

Guidance literature:

With sulfuric acid;

DOI:10.1016/S0040-4039(01)80668-7

Reference yield:

1,2,3,5-tetrachlorobenzene (634-90-2) → 2,3,4,6-tetrachlorobenzoic acid (50-40-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 95 percent / AlCl₃ / Ambient temperature

2: AlCl₃ / CS₂ / Ambient temperature

3: 82 percent / 20percent oleum

With aluminium trichloride; sulfuric acid; In carbon disulfide;

DOI:10.1016/S0040-4039(01)80668-7

Reference yield:

2,3,4,6-tetrachloro-1-(trifluoromethyl)benzene (126278-82-8) → 2,3,4,6-tetrachlorobenzoic acid (50-40-8)

Guidance literature:

Multi-step reaction with 2 steps

1: AlCl₃ / CS₂ / Ambient temperature

2: 82 percent / 20percent oleum

With aluminium trichloride; sulfuric acid; In carbon disulfide;

DOI:10.1016/S0040-4039(01)80668-7

upstream raw materials:

2,3,4,6-tetrachloro-1-(trichloromethyl)benzene

1,2,3,5-tetrachlorobenzene

2,3,4,6-tetrachloro-1-(trifluoromethyl)benzene

Refernces

Titanium Tetrachloride Induced Fries Rearrangement: A New Route to Disubstituted 2'-Hydroxypropiophenones

10.1055/s-1989-27134

The research focuses on the exploration of a new route to synthesize disubstituted 2'-hydroxypropiophenones using titanium tetrachloride induced Fries rearrangement. The purpose of this study was to develop a convenient method for the synthesis of hindered dialkyl 2'-hydroxypropiophenones, which are important intermediates for pharmaceutical applications. The researchers utilized various dialkylphenyl propionates and phenols as starting materials, with titanium tetrachloride and aluminum chloride serving as catalysts to achieve the rearrangement and subsequent elimination reactions. The conclusions drawn from the study indicate that the sequential use of these reagents allowed for the synthesis of previously unknown 3',6'- and 5',6'-dialkyl-2-hydroxypropiophenones, demonstrating the effectiveness of the method in producing these compounds. The research also highlighted the importance of understanding the electronic and steric effects on the reaction outcomes, as well as the role of the catalysts in influencing the reaction pathways.

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