3-Methoxy-5-methyl-2-[[(trifluoromethyl)sulfonyl]oxy]benzoic acid

Base Information

Chemical Name:3-Methoxy-5-methyl-2-[[(trifluoromethyl)sulfonyl]oxy]benzoic acid
CAS No.:157849-04-2
Molecular Formula:C₁₀H₉F₃O₆S
Molecular Weight:314.239
Hs Code.:
DSSTox Substance ID:DTXSID401166752

Synonyms:DTXSID401166752;3-Methoxy-5-methyl-2-[[(trifluoromethyl)sulfonyl]oxy]benzoic acid;157849-04-2

Suppliers and Price of 3-Methoxy-5-methyl-2-[[(trifluoromethyl)sulfonyl]oxy]benzoic acid

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
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price

Total 1 raw suppliers

Chemical Property of 3-Methoxy-5-methyl-2-[[(trifluoromethyl)sulfonyl]oxy]benzoic acid

Chemical Property:

XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:4
Exact Mass:314.00719366
Heavy Atom Count:20
Complexity:455

Purity/Quality:: 98% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC(=C(C(=C1)OC)OS(=O)(=O)C(F)(F)F)C(=O)O

Technology Process of 3-Methoxy-5-methyl-2-[[(trifluoromethyl)sulfonyl]oxy]benzoic acid

There total 3 articles about 3-Methoxy-5-methyl-2-[[(trifluoromethyl)sulfonyl]oxy]benzoic acid 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: 72.5%

: 175165-88-5
methyl-3-methoxy-5-methyl-2-(trifluoromethanesulfonyloxy)benzoate

: 157849-04-2
3-methoxy-5-methyl-2-(trifluoromethanesulfonyloxy)benzoic acid

Guidance literature:: With hydrogenchloride; In 1,4-dioxane; for 60h; Heating;
DOI:10.3987/com-95-s55

Reference yield:

: 71119-08-9
2-bromo-6-methoxy-4-methylphenol

: 157849-04-2
3-methoxy-5-methyl-2-(trifluoromethanesulfonyloxy)benzoic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 63.5 percent / Pd(OAc)2, 1,1'-bis(diphenylphosphino)ferrocene, n-Bu₃N / dimethylformamide / 17 h / 100 °C

2: 98.6 percent / DMAP / CH₂Cl₂; pyridine / 1 h / Ambient temperature

3: 72.5 percent / concd. HCl / dioxane / 60 h / Heating

With hydrogenchloride; dmap; 1,1'-bis-(diphenylphosphino)ferrocene; palladium diacetate; tributyl-amine; In 1,4-dioxane; pyridine; dichloromethane; N,N-dimethyl-formamide;
DOI:10.3987/com-95-s55

Reference yield:

: 175165-87-4
2-hydroxy-3-methoxy-5-methyl-benzoic acid methyl ester

: 157849-04-2
3-methoxy-5-methyl-2-(trifluoromethanesulfonyloxy)benzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 98.6 percent / DMAP / CH₂Cl₂; pyridine / 1 h / Ambient temperature

2: 72.5 percent / concd. HCl / dioxane / 60 h / Heating

With hydrogenchloride; dmap; In 1,4-dioxane; pyridine; dichloromethane;
DOI:10.3987/com-95-s55