2-Methoxyphenyl trifluoromethanesulfonate

Base Information

• Chemical Name: 2-Methoxyphenyl trifluoromethanesulfonate
• CAS No.: 59099-58-0
• Molecular Formula: C8H7F3O4S
• Molecular Weight: 256.202
• Hs Code.: 2905190098
• European Community (EC) Number: 811-831-0
• DSSTox Substance ID: DTXSID00472465
• Nikkaji Number: J376.924K
• Wikidata: Q82301427
• Mol file: 59099-58-0.mol

Synonyms:2-methoxyphenyl trifluoromethanesulfonate;59099-58-0;Methanesulfonic acid, trifluoro-, 2-methoxyphenyl ester;(2-methoxyphenyl) trifluoromethanesulfonate;2-Methoxyphenyl Triflate;SCHEMBL5599606;DTXSID00472465;RCDZTJFBROIDKD-UHFFFAOYSA-N;MFCD25541795;AKOS030228752;2-methoxyphenyltrifluoromethanesulfonate;AS-69899;CS-0197305;M2792;T72670;Trifluoromethanesulfonic Acid 2-Methoxyphenyl Ester

Chemical Property of 2-Methoxyphenyl trifluoromethanesulfonate

Chemical Property:

• Refractive Index: 1.4540 to 1.4580
• Boiling Point: 116°C/17mmHg(lit.)
• PSA: 60.98000
• LogP: 3.00440
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 256.00171436
• Heavy Atom Count: 16
• Complexity: 319

Purity/Quality:

98% GC ^*data from raw suppliers

2-Methoxyphenyl Trifluoromethanesulfonate >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC=C1OS(=O)(=O)C(F)(F)F

Technology Process of 2-Methoxyphenyl trifluoromethanesulfonate

There total 12 articles about 2-Methoxyphenyl trifluoromethanesulfonate 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: 100.0%

trifluoromethylsulfonic anhydride (358-23-6) + 2-methoxy-phenol (90-05-1) → 2-methoxyphenyl triflate (59099-58-0)

Guidance literature:

With pyridine; at 0 - 20 ℃; for 2h;

DOI:10.1016/j.tetlet.2017.06.037

Reference yield: 95.0%

trifluoromethylsulfonic anhydride (358-23-6) + (2-methoxyphenyl)methanol (612-16-8) → o-anisyl trifluoromethanesulfonate (59099-58-0)

Guidance literature:

With pyridine; In dichloromethane; at 0 - 25 ℃; Inert atmosphere;

DOI:10.1021/ja2066829

Reference yield: 95.0%

trifluorormethanesulfonic acid (1493-13-6) + 2-methoxy-phenol (90-05-1) → 2-methoxyphenyl triflate (59099-58-0)

Guidance literature:

With pyridine; In dichloromethane; at 0 - 20 ℃; for 12h; Inert atmosphere;

DOI:10.1021/acs.orglett.1c00313

upstream raw materials:

trifluoromethylsulfonic anhydride

2-methoxyphenyldiazonium tetrafluoroborate

isovanillin

para-nitrophenyl triflate

Downstream raw materials:

pinacol 2-anisylboronate

methoxybenzene

1-fluoro-2-methoxybenzene

(2-methoxyphenyl)diphenylphosphine

Refernces

• 1、 Guo, Peng,Wang, Ke,Jin, Wen-Jie,Xie, Hao,Qi, Liangliang,Liu, Xue-Yuan,Shu, Xing-Zhong. "Dynamic Kinetic Cross-Electrophile Arylation of Benzyl Alcohols by Nickel Catalysis". supporting information. p. 513 - 523. Retrieved 2021/01/12.
• 2、 Abidi, Oumaima,Boubaker, Taoufik,Hierso, Jean-Cyrille,Roger, Julien. "Solvent-free ruthenium-catalysed triflate coupling as a convenient method for selective azole-o-C-H monoarylation". supporting information. p. 5916 - 5919. Retrieved 2019/06/24.