N-[6-(Dioxo-lambda~6~-sulfanylidene)-4-iodocyclohexa-2,4-dien-1-yl]-3-(trifluoromethyl)aniline

Base Information

Chemical Name:N-[6-(Dioxo-lambda~6~-sulfanylidene)-4-iodocyclohexa-2,4-dien-1-yl]-3-(trifluoromethyl)aniline
CAS No.:682786-18-1
Molecular Formula:C₁₃H₉F₃INO₂S
Molecular Weight:427.186
Hs Code.:
DSSTox Substance ID:DTXSID10703479
Mol file:682786-18-1.mol

Synonyms:DTXSID10703479;N-[6-(Dioxo-lambda~6~-sulfanylidene)-4-iodocyclohexa-2,4-dien-1-yl]-3-(trifluoromethyl)aniline

Suppliers and Price of N-[6-(Dioxo-lambda~6~-sulfanylidene)-4-iodocyclohexa-2,4-dien-1-yl]-3-(trifluoromethyl)aniline

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

American Custom Chemicals Corporation
N-(3-TRIFLUOROMETHYLPHENYL)SULFONYL(4-IODO)ANILINE 95.00%
5MG
$ 497.32

Total 5 raw suppliers

Chemical Property of N-[6-(Dioxo-lambda~6~-sulfanylidene)-4-iodocyclohexa-2,4-dien-1-yl]-3-(trifluoromethyl)aniline

Chemical Property:

Boiling Point:442.1±55.0 °C(Predicted)
PKA:7.28±0.10(Predicted)
PSA：54.55000
Density:1.824±0.06 g/cm3(Predicted)
LogP:5.26460
XLogP3:4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:426.93508
Heavy Atom Count:21
Complexity:582

Purity/Quality:

97% ^*data from raw suppliers

N-(3-TRIFLUOROMETHYLPHENYL)SULFONYL(4-IODO)ANILINE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC(=C1)NC2C=CC(=CC2=S(=O)=O)I)C(F)(F)F

Technology Process of N-[6-(Dioxo-lambda~6~-sulfanylidene)-4-iodocyclohexa-2,4-dien-1-yl]-3-(trifluoromethyl)aniline

There total 1 articles about N-[6-(Dioxo-lambda~6~-sulfanylidene)-4-iodocyclohexa-2,4-dien-1-yl]-3-(trifluoromethyl)aniline 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:

: 777-44-6
3-(Trifluoromethyl)benzenesulfonyl chloride

: 540-37-4
p-aminoiodobenzene

: 682786-18-1
N-(4-iodo-phenyl)-3-trifluoromethyl-benzenesulfonamide

Guidance literature:: 3-(Trifluoromethyl)benzenesulfonyl chloride; p-aminoiodobenzene; With triethylamine; In dichloromethane;

With sodium methylate; In methanol;
DOI:10.1016/S0960-894X(01)00552-2

Reference yield:

: 79-10-7
acrylic acid

: 682786-18-1
N-(4-iodo-phenyl)-3-trifluoromethyl-benzenesulfonamide

: (E)-3-[4-(3-Trifluoromethyl-benzenesulfonylamino)-phenyl]-acrylic acid

Guidance literature:: With tris(dibenzylideneacetone)dipalladium ⁽⁰⁾; triethylamine; tris-(o-tolyl)phosphine; In N,N-dimethyl-formamide; at 100 ℃;
DOI:10.1016/S0960-894X(01)00552-2

Reference yield:

: 682786-18-1
N-(4-iodo-phenyl)-3-trifluoromethyl-benzenesulfonamide

: N-hydroxy-3-[4-(3-trifluoromethyl-benzenesulfonylamino)-phenyl]-acrylamide

Guidance literature:: Multi-step reaction with 3 steps

1: Pd₂(dba)3; P(o-tolyl)3; Et₃N / dimethylformamide / 100 °C

2: EDC; HOBt / dimethylformamide / 50 °C

3: CSA; MeOH

With methanol; tris(dibenzylideneacetone)dipalladium ⁽⁰⁾; camphor-10-sulfonic acid; benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; triethylamine; tris-(o-tolyl)phosphine; In N,N-dimethyl-formamide; 1: Heck coupling;
DOI:10.1016/S0960-894X(01)00552-2