4-methyl-N-(2,2,2-trichloroethylidene)benzenesulfonamide

Base Information

• Chemical Name: 4-methyl-N-(2,2,2-trichloroethylidene)benzenesulfonamide
• CAS No.: 51608-61-8
• Molecular Formula: C₉H₈Cl₃NO₂S
• Molecular Weight: 300.593
• DSSTox Substance ID: DTXSID601173193

Synonyms:4-methyl-N-(2,2,2-trichloroethylidene)benzenesulfonamide;DTXSID601173193;[N(E)]-4-Methyl-N-(2,2,2-trichloroethylidene)benzenesulfonamide;51608-61-8

Chemical Property of 4-methyl-N-(2,2,2-trichloroethylidene)benzenesulfonamide

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 298.934133
• Heavy Atom Count: 16
• Complexity: 348

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)N=CC(Cl)(Cl)Cl
• Isomeric SMILES: CC1=CC=C(C=C1)S(=O)(=O)/N=C/C(Cl)(Cl)Cl

Technology Process of 4-methyl-N-(2,2,2-trichloroethylidene)benzenesulfonamide

There total 8 articles about 4-methyl-N-(2,2,2-trichloroethylidene)benzenesulfonamide 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: 95.0%

N,N-dichloro-p-toluenesulfonamide (473-34-7) + Trichloroethylene (79-01-6) → N-(2,2,2-trichloroethyliden)-p-toluenesulfonamide (51608-61-8,13707-44-3)

Guidance literature:

at 87 - 89 ℃;

DOI:10.1023/A:1012385703287

Reference yield: 88.0%

N,N-dichloro-p-toluenesulfonamide (473-34-7) + Trichloroethylene (79-01-6) → (E)-N-(2,2,2-trichloroethylidene)-4-methylbenzenesulfonamide (51608-61-8)

Guidance literature:

for 8h; Heating;

DOI:10.1002/mrc.2070

Reference yield: 44.1%

N,N-dichloro-p-toluenesulfonamide (473-34-7) + 1,2-Dichloroethylene (540-59-0,43695-79-0) → N-(2,2,2-trichloroethyliden)-p-toluenesulfonamide (51608-61-8,13707-44-3) + Trichloroethylene (79-01-6) + N-(2,2-dichloro-1-{[(4-methylphenyl)sulfonyl]amino}ethyl)-4-methylbenzenesulfonamide (92962-02-2) + toluene-4-sulfonamide (70-55-3) + N-[2,2-Dichloro-eth-(E)-ylidene]-4-methyl-benzenesulfonamide (113792-00-0) + 1,1,2,2-tetrachloroethane (79-34-5)

Guidance literature:

at 55 ℃; for 22h; Product distribution; other time, other temperature, other initiator;

upstream raw materials:

N,N-dichloro-p-toluenesulfonamide

1,2-Dichloroethylene

Trichloroethylene

chloral

Downstream raw materials:

N²-tosyl-N¹,N¹-cyclopentyl formamide

N²-tosyl-N¹,N¹-cyclo(ethyleneoxyethylene)formamide

2-(toluene-4-sulfonyl)-3exo-trichloromethyl-2-aza-bicyclo[2.2.1]hept-5-ene

2-(Toluene-4-sulfonyl)-3-trichloromethyl-2-aza-bicyclo[2.2.1]hept-5-ene

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