4-[[(Trifluoromethyl)sulfonyl]oxy]-1,3-benzenedicarboxylic acid dimethyl ester

Base Information

Chemical Name:4-[[(Trifluoromethyl)sulfonyl]oxy]-1,3-benzenedicarboxylic acid dimethyl ester
CAS No.:377082-05-8
Molecular Formula:C₁₁H₉F₃O₇S
Molecular Weight:342.249
Hs Code.:
DSSTox Substance ID:DTXSID60475891
Wikidata:Q82306714
Mol file:377082-05-8.mol

Synonyms:377082-05-8;4-[[(Trifluoromethyl)sulfonyl]oxy]-1,3-benzenedicarboxylic acid dimethyl ester;Dimethyl 4-(trifluoromethylsulfonyloxy)isophthalate;SCHEMBL2314446;DTXSID60475891;dimethyl 4-(trifluoromethylsulfonyloxy)benzene-1,3-dicarboxylate;AKOS015961476;AC-13987;A1-38817;Dimethyl 4-trifluoromethanesulfonyloxy-1,3-benzenedicarboxylate;dimethyl 4-trifluoromethanesulfonyloxy-1.3-benzenedicarboxylate

Suppliers and Price of 4-[[(Trifluoromethyl)sulfonyl]oxy]-1,3-benzenedicarboxylic acid dimethyl ester

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
4-[[(TRIFLUOROMETHYL)SULFONYL]OXY]-1,3-BENZENEDICARBOXYLIC ACID DIMETHYL ESTER 95.00%
1G
$ 1067.22

Total 1 raw suppliers

Chemical Property of 4-[[(Trifluoromethyl)sulfonyl]oxy]-1,3-benzenedicarboxylic acid dimethyl ester

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Boiling Point:401.183°C at 760 mmHg
Flash Point:196.429°C
PSA：104.35000
Density:1.51g/cm³
LogP:2.56900
XLogP3:2.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:6
Exact Mass:342.00210828
Heavy Atom Count:22
Complexity:523

Purity/Quality:: 4-[[(TRIFLUOROMETHYL)SULFONYL]OXY]-1,3-BENZENEDICARBOXYLIC ACID DIMETHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1=CC(=C(C=C1)OS(=O)(=O)C(F)(F)F)C(=O)OC

Technology Process of 4-[[(Trifluoromethyl)sulfonyl]oxy]-1,3-benzenedicarboxylic acid dimethyl ester

There total 2 articles about 4-[[(Trifluoromethyl)sulfonyl]oxy]-1,3-benzenedicarboxylic acid dimethyl ester 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: 96.0%

: 37595-74-7
N,N-phenylbistrifluoromethane-sulfonimide

: 5985-24-0
dimethyl 4-hydroxyisophthalate

: 377082-05-8
dimethyl 4-trifluoromethanesulfonyl-oxy-1,3-benzenedicarboxylate

Guidance literature:: With dmap; triethylamine; In dichloromethane; at 20 - 23 ℃;

Reference yield: 93.0%

: 5985-24-0
dimethyl 4-hydroxyisophthalate

: 377082-05-8
dimethyl 4-trifluoromethanesulfonyl-oxy-1,3-benzenedicarboxylate

Guidance literature:: With trifluoromethylsulfonic anhydride; triethylamine; In dichloromethane;

Reference yield:

: 377082-05-8
dimethyl 4-trifluoromethanesulfonyl-oxy-1,3-benzenedicarboxylate

: 1142232-41-4
methyl 2-(5-fluoro-2-(methyloxy)-4-pyridinyl)-5-(hydroxymethyl)benzoate

Guidance literature:: Multi-step reaction with 3 steps

1: potassium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾ / N,N-dimethyl-formamide / 17 h / 23 - 90 °C / Inert atmosphere

2: potassium hydroxide / tetrahydrofuran; methanol / 17 h / 0 - 20 °C / Inert atmosphere

3: borane-THF / tetrahydrofuran / 46 h / 23 °C / Inert atmosphere

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; borane-THF; potassium carbonate; potassium hydroxide; In tetrahydrofuran; methanol; N,N-dimethyl-formamide;
DOI:10.1021/ml4005123