Methyl 5-formyl-2-(trifluoromethylsulfonyloxy)benzoate

Base Information

Chemical Name:Methyl 5-formyl-2-(trifluoromethylsulfonyloxy)benzoate
CAS No.:173251-53-1
Molecular Formula:C10H7F3O6S
Molecular Weight:312.223
Hs Code.:
DSSTox Substance ID:DTXSID00573022
Nikkaji Number:J1.373.281G
Wikidata:Q82461581

Synonyms:methyl 5-formyl-2-(trifluoromethylsulfonyloxy)benzoate;173251-53-1;SCHEMBL1957481;DTXSID00573022;methyl 5-formyl-2-{[(trifluoromethyl)sulfonyl]oxy}benzoate;Methyl 5-formyl-2-[(trifluoromethanesulfonyl)oxy]benzoate;5-Formyl-2-trifluoromethanesulfonyloxy-benzoic acid methyl ester

Suppliers and Price of Methyl 5-formyl-2-(trifluoromethylsulfonyloxy)benzoate

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 0 raw suppliers

Chemical Property of Methyl 5-formyl-2-(trifluoromethylsulfonyloxy)benzoate

Chemical Property:

XLogP3:2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:5
Exact Mass:311.99154360
Heavy Atom Count:20
Complexity:466

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Methyl 5-formyl-2-(trifluoromethylsulfonyloxy)benzoate

There total 2 articles about Methyl 5-formyl-2-(trifluoromethylsulfonyloxy)benzoate 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: 89.0%

: 358-23-6
trifluoromethylsulfonic anhydride

: 41489-76-3
methyl-5-formyl-2-hydroxybenzoate

: 173251-53-1
methyl 5-formyl-2-{[(trifluoromethyl)sulfonyl]oxy}benzoate

Guidance literature:: With pyridine; In dichloromethane; at 20 ℃; for 21h;
DOI:10.1021/jo702002y

Reference yield:

: 616-76-2
2-hydroxy-5-formylbenzoic acid

: 173251-53-1
methyl 5-formyl-2-{[(trifluoromethyl)sulfonyl]oxy}benzoate

Guidance literature:: Multi-step reaction with 2 steps

1: 78 percent / H₂SO₄ / 24 h / Heating

2: 65 percent / 2,6-lutidine / CH₂Cl₂ / 5 h / -78 - 20 °C

With 2,6-dimethylpyridine; sulfuric acid; In dichloromethane; 1: Esterification / 2: triflation;
DOI:10.1016/S0040-4039(00)01016-9

Reference yield: 55.0%

: 1-[2-Chloro-8-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-6H-dibenzo[b,f]azocin-5-yl]-ethanone

: 173251-53-1
methyl 5-formyl-2-{[(trifluoromethyl)sulfonyl]oxy}benzoate

: 2-(5-acetyl-2-chloro-5,6-dihydrodibenzo[b,f]azocin-8-yl)-5-formylbenzoic acid, methyl ester

Guidance literature:: 1-[2-Chloro-8-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-6H-dibenzo[b,f]azocin-5-yl]-ethanone; methyl 5-formyl-2-{[(trifluoromethyl)sulfonyl]oxy}benzoate; In ethanol; toluene; at 0 ℃; for 0.5h;

With sodium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In ethanol; toluene; at 75 ℃; for 2h; Product distribution / selectivity;