Benzoic acid, p-(methylsulfonyl)-, ester with 2,2-dichloro-4'-hydroxy-N-methylacetanilide

Base Information

• Chemical Name: Benzoic acid, p-(methylsulfonyl)-, ester with 2,2-dichloro-4'-hydroxy-N-methylacetanilide
• CAS No.: 3686-72-4
• Molecular Formula: C17H15Cl2NO5S
• Molecular Weight: 416.2757
• DSSTox Substance ID: DTXSID30190347
• Wikidata: Q83062709
• Mol file: 3686-72-4.mol

Synonyms:Benzoic acid, p-(methylsulfonyl)-, ester with 2,2-dichloro-4'-hydroxy-N-methylacetanilide;3686-72-4;M & B 6233;BRN 2678614;p-(Methylsulfonyl)benzoic acid ester with 2,2-dichloro-4'-hydroxy-N-methylacetanilide;C17H15Cl2NO5S;DTXSID30190347;[4-[(2,2-dichloroacetyl)-methylamino]phenyl] 4-methylsulfonylbenzoate;AKOS040750773;LS-37976

Chemical Property of Benzoic acid, p-(methylsulfonyl)-, ester with 2,2-dichloro-4'-hydroxy-N-methylacetanilide

Chemical Property:

• Vapor Pressure: 5.61E-14mmHg at 25°C
• Boiling Point: 591.8°Cat760mmHg
• Flash Point: 311.7°C
• Density: 1.438g/cm³
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 415.0047991
• Heavy Atom Count: 26
• Complexity: 603

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)S(=O)(=O)C)C(=O)C(Cl)Cl

Technology Process of Benzoic acid, p-(methylsulfonyl)-, ester with 2,2-dichloro-4'-hydroxy-N-methylacetanilide

There total 1 articles about Benzoic acid, p-(methylsulfonyl)-, ester with 2,2-dichloro-4'-hydroxy-N-methylacetanilide 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:

diloxanide (579-38-4) + 4-methylsulfonylbenzoyl chloride (40913-92-6) → α,α-Dichlor-N-methyl-p-(4-methylsulfonyl-benzoyloxy)-acetanilid (3686-72-4)

Guidance literature:

In pyridine;

DOI:10.1039/jr9620001420

upstream raw materials:

diloxanide

4-methylsulfonylbenzoyl chloride