Benzamide, N-[2,2-dichloro-1-[(4-methylphenyl)sulfonyl]ethenyl]-

Base Information

• Chemical Name: Benzamide, N-[2,2-dichloro-1-[(4-methylphenyl)sulfonyl]ethenyl]-
• CAS No.: 117847-45-7
• Molecular Formula: C16H13Cl2NO3S
• Molecular Weight: 370.256
• DSSTox Substance ID: DTXSID10362484
• ChEMBL ID: CHEMBL1723753
• Mol file: 117847-45-7.mol

Synonyms:117847-45-7;Benzamide, N-[2,2-dichloro-1-[(4-methylphenyl)sulfonyl]ethenyl]-;N-{2,2-dichloro-1-[(4-methylphenyl)sulfonyl]vinyl}benzamide;HMS2386I16;SMR000184508;CBMicro_047830;MLS000573660;CHEMBL1723753;DTXSID10362484;N-(2,2-DICHLORO-1-(TOLUENE-4-SULFONYL)-VINYL)-BENZAMIDE;AKOS001593589;BIM-0047937.P001;N-(2,2-dichloro-1-tosylethenyl)benzamide

Chemical Property of Benzamide, N-[2,2-dichloro-1-[(4-methylphenyl)sulfonyl]ethenyl]-

Chemical Property:

• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 368.9993198
• Heavy Atom Count: 23
• Complexity: 550

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)C(=C(Cl)Cl)NC(=O)C2=CC=CC=C2

Technology Process of Benzamide, N-[2,2-dichloro-1-[(4-methylphenyl)sulfonyl]ethenyl]-

There total 1 articles about Benzamide, N-[2,2-dichloro-1-[(4-methylphenyl)sulfonyl]ethenyl]- 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:

N-(1,2,2,2-tetrachloroethyl)benzamide (6798-35-2) + sodium 4-methylbenzenesulfinate (824-79-3) → N-[2,2-Dichloro-1-(toluene-4-sulfonyl)-vinyl]-benzamide (117847-45-7)

Guidance literature:

With triethylamine; Yield given. Multistep reaction; 1) CH₃CN, reflux, 2.5 h, 2) THF, 35 min;

Reference yield: 87.0%

N-[2,2-Dichloro-1-(toluene-4-sulfonyl)-vinyl]-benzamide (117847-45-7) + p-Chlorothiophenol (106-54-7) → N-[1,2,2-tris-(4-chloro-phenylsulfanyl)-vinyl]-benzamide (387381-73-9)

Guidance literature:

With triethylamine; In ethanol; at 20 - 25 ℃; for 24h;

DOI:10.1023/A:1012312008448

Reference yield: 71.0%

thiophenol (108-98-5) + N-[2,2-Dichloro-1-(toluene-4-sulfonyl)-vinyl]-benzamide (117847-45-7) → N-(1,2,2-tris-phenylsulfanyl-vinyl)-benzamide

Guidance literature:

With triethylamine; In ethanol; at 20 - 25 ℃; for 2h;

DOI:10.1023/A:1013196415680

upstream raw materials:

N-(1,2,2,2-tetrachloroethyl)benzamide

sodium 4-methylbenzenesulfinate

Downstream raw materials:

N,N-dimethyl-[(4-methylphenyl)sulfonyl]-2-phenyl-1,3-oxazol-5-amine

N-[1,2,2-tris-(4-chloro-phenylsulfanyl)-vinyl]-benzamide

2-phenyl-4,5-bis-p-tolylsulfanyl-oxazole