4-Methoxy-2-(trimethylsilyl)phenyl Trifluoromethanesulfonate

Base Information

• Chemical Name: 4-Methoxy-2-(trimethylsilyl)phenyl Trifluoromethanesulfonate
• CAS No.: 556812-41-0
• Molecular Formula: C11H15F3O4SSi
• Molecular Weight: 328.38
• Hs Code.: 29319090
• European Community (EC) Number: 677-548-8
• DSSTox Substance ID: DTXSID10479465
• Nikkaji Number: J1.911.484H
• Wikidata: Q82313529
• Mol file: 556812-41-0.mol

Synonyms:556812-41-0;4-Methoxy-2-(trimethylsilyl)phenyl Trifluoromethanesulfonate;(4-methoxy-2-trimethylsilylphenyl) trifluoromethanesulfonate;4-Methoxy-2-(trimethylsilyl)phenyl Triflate;SCHEMBL2296015;DTXSID10479465;IPZYLSPWZUDOHB-UHFFFAOYSA-N;MFCD10566917;AKOS015852942;BS-23258;CS-0182183;M1885;T72614;4-Methoxy-2-(trimethylsilyl)phenyl Trifluoromethan;4-Methoxy-2-(Trimethylsilyl)Phenyl Triflate, 98%;4-Methoxy-2-(trimethylsilyl)phenylTrifluoromethanesulfonate;Trifluoromethanesulfonic Acid 4-Methoxy-2-(trimethylsilyl)phenyl Ester

Chemical Property of 4-Methoxy-2-(trimethylsilyl)phenyl Trifluoromethanesulfonate

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Refractive Index: 1.472
• Boiling Point: 322.387°C at 760 mmHg
• Flash Point: 148.775°C
• PSA: 60.98000
• Density: 1.25
• LogP: 3.54960
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 328.04124115
• Heavy Atom Count: 20
• Complexity: 424

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Methoxy-2-(trimethylsilyl)phenyl Trifluoromethanesulfonate >95.0%(GC) ^*data from reagent suppliers

Safty Information:

• Statements: 34
• Safety Statements: 36-62-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)OS(=O)(=O)C(F)(F)F)[Si](C)(C)C

Technology Process of 4-Methoxy-2-(trimethylsilyl)phenyl Trifluoromethanesulfonate

There total 8 articles about 4-Methoxy-2-(trimethylsilyl)phenyl 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: 88.0%

trifluoromethylsulfonic anhydride (358-23-6) + 4-methoxy-2-trimethylsilylphenol (85630-29-1) → 4-methoxy-2-(trimethylsilyl)phenyl triflate (556812-41-0)

Guidance literature:

With pyridine; at 50 ℃; for 1h; Inert atmosphere;

DOI:10.1021/jo300290v

Reference yield: 67.0%

trifluoromethylsulfonic anhydride (358-23-6) + (2-bromo-4-methoxyphenoxy)trimethylsilane → 4-methoxy-2-(trimethylsilyl)phenyl triflate (556812-41-0)

Guidance literature:

(2-bromo-4-methoxyphenoxy)trimethylsilane; With n-butyllithium; In tetrahydrofuran; hexane; at -100 - -80 ℃; Inert atmosphere;

trifluoromethylsulfonic anhydride; In tetrahydrofuran; hexane; at -100 ℃; Inert atmosphere;

DOI:10.1002/anie.201607740

Reference yield:

2-bromo-4-methoxyphenol (17332-11-5) → 4-methoxy-2-(trimethylsilyl)phenyl triflate (556812-41-0)

Guidance literature:

Multi-step reaction with 2 steps

1.1: n-butyllithium / tetrahydrofuran; hexane / 0.8 h / -78 °C / Inert atmosphere

1.2: 4 h / 25 °C / Inert atmosphere

2.1: pyridine / 1 h / 50 °C / Inert atmosphere

With pyridine; n-butyllithium; In tetrahydrofuran; hexane;

DOI:10.1021/jo300290v

upstream raw materials:

trifluoromethylsulfonic anhydride

2-chloro-5-methoxyphenyltrimethylsilane

4-methoxy-2-trimethylsilylphenol

4-methoxy-2-trimethylsilylphenyl methanesulfonate

Downstream raw materials:

2-allyl-5-methoxyphenyltrimethylsilane

2-(2,2,2-trifluoroethoxy)-5-methoxytrimethylsilylbenzene

3-trimethylsilylanisol

4-methoxy-2-trimethylsilylbiphenyl