Benzoic acid, 2-methoxy-6-[[(trifluoromethyl)sulfonyl]oxy]-, methyl ester

Base Information

Chemical Name:Benzoic acid, 2-methoxy-6-[[(trifluoromethyl)sulfonyl]oxy]-, methyl ester
CAS No.:145645-18-7
Molecular Formula:C10H9F3O6S
Molecular Weight:314.239
Hs Code.:
DSSTox Substance ID:DTXSID80437294
Nikkaji Number:J1.759.542C
Wikidata:Q82252774

Synonyms:145645-18-7;Benzoic acid, 2-methoxy-6-[[(trifluoromethyl)sulfonyl]oxy]-, methyl ester;DTXSID80437294;2-[(Trifluoromethyl)sulfonyloxy]-6-methoxybenzoic acid methyl ester

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Supply Marketing:

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

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Chemical Property of Benzoic acid, 2-methoxy-6-[[(trifluoromethyl)sulfonyl]oxy]-, methyl ester

Chemical Property:

XLogP3:2.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:5
Exact Mass:314.00719366
Heavy Atom Count:20
Complexity:441

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=C(C(=CC=C1)OS(=O)(=O)C(F)(F)F)C(=O)OC

Technology Process of Benzoic acid, 2-methoxy-6-[[(trifluoromethyl)sulfonyl]oxy]-, methyl ester

There total 5 articles about Benzoic acid, 2-methoxy-6-[[(trifluoromethyl)sulfonyl]oxy]-, methyl 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: 93.0%

: 358-23-6
trifluoromethylsulfonic anhydride

: 22833-69-8
methyl 6-methoxysalicylate

: 145645-18-7
methyl 2-methoxy-6-{[(trifluoromethyl)sulfonyl]oxy}benzoate

Guidance literature:: With pyridine; at 20 ℃; for 20h;
DOI:10.1021/ol017261d

Reference yield:

: 3147-64-6
2-hydroxy-6-methoxybenzoic acid

: 145645-18-7
methyl 2-methoxy-6-{[(trifluoromethyl)sulfonyl]oxy}benzoate

Guidance literature:: Multi-step reaction with 2 steps

1: 82 percent / DBU / tetrahydrofuran / 24 h / 20 °C

2: 89 percent / pyridine / 0 - 20 °C

With pyridine; 1,8-diazabicyclo[5.4.0]undec-7-ene; In tetrahydrofuran;
DOI:10.1021/ol062595u

Reference yield:

: 30778-86-0
1-methoxy-3-tetrahydropyran-2-yloxybenzene

: 145645-18-7
methyl 2-methoxy-6-{[(trifluoromethyl)sulfonyl]oxy}benzoate

Guidance literature:: Multi-step reaction with 3 steps

1.1: nBuLi / diethyl ether; hexane / 0 - 20 °C

1.2: 74 percent / diethyl ether; hexane

2.1: 85 percent / DBU / tetrahydrofuran / 0 - 20 °C

3.1: 93 percent / pyridine / 20 h / 20 °C

With pyridine; n-butyllithium; 1,8-diazabicyclo[5.4.0]undec-7-ene; In tetrahydrofuran; diethyl ether; hexane;
DOI:10.1021/ol017261d