(3-Methylphenyl)(2,4,6-trimethylphenyl)iodonium triflate

Base Information

• Chemical Name: (3-Methylphenyl)(2,4,6-trimethylphenyl)iodonium triflate
• CAS No.: 197245-87-7
• Molecular Formula: CF₃O₃S*C₁₆H₁₈I
• Molecular Weight: 486.294
• Hs Code.: 2902909090
• European Community (EC) Number: 694-840-0
• DSSTox Substance ID: DTXSID80443911
• Mol file: 197245-87-7.mol

Synonyms:(3-Methylphenyl)(2,4,6-trimethylphenyl)iodonium triflate;197245-87-7;(3-Methylphenyl)(2,4,6-trimethylphenyl)iodonium trifluoromethanesulfonate;(3-methylphenyl)-(2,4,6-trimethylphenyl)iodanium;trifluoromethanesulfonate;Mesityl(m-tolyl)iodonium triflate;DTXSID80443911;JFTSJYFKINVLMA-UHFFFAOYSA-M;XHA24587;MFCD20264883;BS-43940;M2908;T72020;(3-Methylphenyl)(2,4,6-trimethylphenyl)iodonium triflate, >=97.0% (HPLC)

Chemical Property of (3-Methylphenyl)(2,4,6-trimethylphenyl)iodonium triflate

Chemical Property:

• Melting Point: 166.0 to 170.0 °C
• PSA: 65.58000
• LogP: 2.18080
• Solubility.: soluble in Methanol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 485.99735
• Heavy Atom Count: 25
• Complexity: 370

Purity/Quality:

97% ^*data from raw suppliers

(3-Methylphenyl)(2,4,6-trimethylphenyl)iodonium triflate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): 7790043
• Hazard Codes: T
• Statements: 25-36/37/38
• Safety Statements: 26-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)[I+]C2=C(C=C(C=C2C)C)C.C(F)(F)(F)S(=O)(=O)[O-]
• Uses: (3-Methylphenyl)(2,4,6-trimethylphenyl)iodonium Triflate is a reagent used in the preparation of functionalized unsymmetrical diaryliodonium salts. It is also a reagent for the arylation of arenes and heteroarenes using photoredox catalysis.

Technology Process of (3-Methylphenyl)(2,4,6-trimethylphenyl)iodonium triflate

There total 6 articles about (3-Methylphenyl)(2,4,6-trimethylphenyl)iodonium triflate 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: 85.0%

trifluorormethanesulfonic acid (1493-13-6) + 3-Iodotoluene (625-95-6) + 1,3,5-trimethyl-benzene (108-67-8) → (2,4,6-trimethylphenyl)(3’-methylphenyl)iodonium triflate (197245-87-7)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In 1,2-dichloro-ethane; at 20 ℃; Inert atmosphere; Flow reactor;

DOI:10.1002/anie.201703369

Reference yield:

toluene (108-88-3,15644-74-3,16713-13-6) → (2,4,6-trimethylphenyl)(3’-methylphenyl)iodonium triflate (197245-87-7)

Guidance literature:

Multi-step reaction with 3 steps

1: I₂, AgO₂CCF₃ / CH₂Cl₂

2: acetic acid

3: 1.) CH₂Cl₂, from -30 deg C to 0 deg C, 1 h, 2.) CH₂Cl₂, from -30 deg C to 0 deg C

With iodine; silver trifluoroacetate; acetic acid; In dichloromethane;

Reference yield:

C11H13IO4*2CHF3O3S + 1,3,5-trimethyl-benzene (108-67-8) → (2,4,6-trimethylphenyl)(3’-methylphenyl)iodonium triflate (197245-87-7)

Guidance literature:

In dichloromethane; at -30 - 0 ℃; Yield given;

upstream raw materials:

1,3,5-trimethyl-benzene

trifluorormethanesulfonic acid

m-(diacetoxyiodo)toluene

3-Iodotoluene

Downstream raw materials:

(S)-2-(m-tolyl)-1-octanol

1-methyl-2-(3-methylphenyl)-1H-pyrrole

1,3-dimethyl-3-(3-methylbenzyl)indolin-2-one

2-(3-methylphenyl)-5-phenyl-1,3,4-oxadiazole