Agn-PC-0nic4J

Base Information

Chemical Name:Agn-PC-0nic4J
CAS No.:58747-50-5
Molecular Formula:C14H15F3NO5S2+
Molecular Weight:397.396
Hs Code.:
DSSTox Substance ID:DTXSID80483791
NSC Number:234197

Synonyms:58747-50-5;AGN-PC-0NIC4J;DTXSID80483791;NSC234197;NSC-234197

Suppliers and Price of Agn-PC-0nic4J

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 2 raw suppliers

Chemical Property of Agn-PC-0nic4J

Chemical Property:

Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:3
Exact Mass:397.02654938
Heavy Atom Count:25
Complexity:464

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC=C(C=C1)S(=O)(=O)C[N+]2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]

Technology Process of Agn-PC-0nic4J

There total 3 articles about Agn-PC-0nic4J 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: 85.0%

: 110-86-1
pyridine

: Trifluoro-methanesulfonatephenyl-(toluene-4-sulfonylmethyl)-iodonium;

: 591-50-4
iodobenzene

: 58747-50-5
1-p-toluenesulfonylmethylpyridinium triflate

Guidance literature:: In dichloromethane; for 0.166667h; Ambient temperature;
DOI:10.1021/ja9707926

Reference yield:

: 37891-96-6
1-((iodom ethyl)sulfonyl)-4-methylbenzene

: 58747-50-5
1-p-toluenesulfonylmethylpyridinium triflate

Guidance literature:: Multi-step reaction with 3 steps

1: 1.) 80percent H₂O₂ / 1.) -30 deg C to 25 deg C; 25 deg C, 10 min, 2.) CH₂Cl₂, -30 deg C to 25 deg C; 25 deg C, 4 h

2: 65 percent / CF₃COOH / CH₂Cl₂ / 12 h / Ambient temperature

3: 85 percent / CH₂Cl₂ / 0.17 h / Ambient temperature

With dihydrogen peroxide; trifluoroacetic acid; In dichloromethane;
DOI:10.1021/ja9707926

Reference yield:

: C₁₂H₉F₆IO₆S

: 58747-50-5
1-p-toluenesulfonylmethylpyridinium triflate

Guidance literature:: Multi-step reaction with 2 steps

1: 65 percent / CF₃COOH / CH₂Cl₂ / 12 h / Ambient temperature

2: 85 percent / CH₂Cl₂ / 0.17 h / Ambient temperature

With trifluoroacetic acid; In dichloromethane;
DOI:10.1021/ja9707926