2-Iodophenyl Trifluoromethanesulfonate

Base Information

• Chemical Name: 2-Iodophenyl Trifluoromethanesulfonate
• CAS No.: 129112-26-1
• Molecular Formula: C7H4F3IO3S
• Molecular Weight: 352.073
• Hs Code.: 2906299090
• European Community (EC) Number: 678-580-5
• DSSTox Substance ID: DTXSID80444882
• Nikkaji Number: J1.005.739F
• Wikidata: Q72484441
• Mol file: 129112-26-1.mol

Synonyms:2-Iodophenyl Trifluoromethanesulfonate;129112-26-1;(2-iodophenyl) trifluoromethanesulfonate;2-Iodophenyltriflate;Trifluoromethanesulfonic Acid 2-Iodophenyl Ester;2-Iodophenyl Triflate;SCHEMBL5599136;DTXSID80444882;AXIDYNSWXPNBLG-UHFFFAOYSA-N;Methanesulfonic acid, 1,1,1-trifluoro-, 2-iodophenyl ester;2-IodophenylTrifluoromethanesulfonate;MFCD07784326;AS-70576;CS-0081876;I0770;T71685;A888907

Chemical Property of 2-Iodophenyl Trifluoromethanesulfonate

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Refractive Index: 1.5100 to 1.5150
• Boiling Point: 308℃
• Flash Point: 140℃
• PSA: 51.75000
• Density: 2.035
• LogP: 3.60040
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 351.88780
• Heavy Atom Count: 15
• Complexity: 308

Purity/Quality:

99% ^*data from raw suppliers

2-Iodophenyl Trifluoromethanesulfonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Iodophenyl Trifluoromethanesulfonate

There total 7 articles about 2-Iodophenyl 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: 95.0%

trifluoromethylsulfonic anhydride (358-23-6) + 2-Iodophenol (533-58-4) → 2-iodophenyltrifluoromethanesulfonic acid (129112-26-1)

Guidance literature:

With pyridine; In dichloromethane; at 20 ℃; for 0.25h; Inert atmosphere; Schlenk technique;

DOI:10.1021/jacs.1c05434

Reference yield: 93.0%

2-iodophenyl isopropylcarbamate (864908-76-9) + trifluoromethylsulfonic anhydride (358-23-6) → 2-iodophenyltrifluoromethanesulfonic acid (129112-26-1)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dichloromethane; at -78 - 25 ℃;

DOI:10.1055/s-2007-985565

Reference yield: 90.0%

2-(trimethylsilyl)phenyl trifluoromethanesulfonate (88284-48-4) → 2-iodophenyltrifluoromethanesulfonic acid (129112-26-1)

Guidance literature:

With aluminum (III) chloride; 1,3-Diiodo-5,5-dimethyl-2,4-imidazolidinedione; In dichloromethane; at 20 ℃; for 2h; Inert atmosphere;

DOI:10.1246/cl.190223

upstream raw materials:

trifluoromethylsulfonic anhydride

2-Iodophenol

2-iodophenyl isopropylcarbamate

phenyl N-isopropylcarbamate

Downstream raw materials:

o-terphenyl

biphenyl-2-yl trifluoromethanesulfonate

2-Phenylphenol

2-trifluoromethyl-1-trifluoromethanesulfonyloxybenzene

Refernces

• 1、 Kran, Eva,Mück-Lichtenfeld, Christian,Daniliuc, Constantin G.,Studer, Armido. "Synthesis of Stannylated Aryl Imines and Amines via Aryne Insertion Reactions into Sn?N Bonds". supporting information. p. 9281 - 9285. Retrieved 2021/05/31.
• 2、 -. "Diaryl iodide salt compound as well as preparation method and application thereof". Paragraph 0035-0038. . Retrieved 2019/01/08.