4-Phenylphenyl triflate

Base Information

• Chemical Name: 4-Phenylphenyl triflate
• CAS No.: 17763-78-9
• Molecular Formula: C13H9F3O3S
• Molecular Weight: 302.274
• European Community (EC) Number: 810-984-0
• DSSTox Substance ID: DTXSID90454432
• Nikkaji Number: J376.925I
• Wikidata: Q82275953
• Mol file: 17763-78-9.mol

Synonyms:4-Phenylphenyl triflate;17763-78-9;4-Biphenyl triflate;(4-phenylphenyl) trifluoromethanesulfonate;4-Biphenylyl Trifluoromethanesulfonate;Methanesulfonic acid, 1,1,1-trifluoro-, [1,1'-biphenyl]-4-yl ester;Trifluoromethanesulfonic acid 4-biphenylyl ester;4-Phenylphenyltriflate;4-Biphenylyl Triflate;Methanesulfonic acid, trifluoro-, [1,1'-biphenyl]-4-yl ester;SCHEMBL5532552;DTXSID90454432;RJFYGCJTUUXOOF-UHFFFAOYSA-N;MFCD18379753;AKOS026672037;DS-10400;B5012;CS-0198997;1,1'-Biphenyl-4-yl trifluoromethanesulfonate;T70439;A924842

Chemical Property of 4-Phenylphenyl triflate

Chemical Property:

• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 302.02244980
• Heavy Atom Count: 20
• Complexity: 400

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)OS(=O)(=O)C(F)(F)F

Technology Process of 4-Phenylphenyl triflate

There total 8 articles about 4-Phenylphenyl 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: 49.1%

4-bromophenyl trifluoromethanesulfonate (66107-30-0) + phenylboronic acid (98-80-6) → [1,1';4',1'']terphenyl (92-94-4,94363-13-0) + 4-phenylphenyl triflate (17763-78-9)

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; potassium carbonate; 1,4-di(diphenylphosphino)-butane; In water; toluene; for 16h; Inert atmosphere; Heating;

DOI:10.1002/ejoc.201801286

Reference yield:

→ 4-phenylphenyl triflate (17763-78-9) + 4-phenyldiphenylamine (32228-99-2)

Guidance literature:

Reference yield:

4-bromophenyl trifluoromethanesulfonate (66107-30-0) + phenylmagnesium bromide (100-58-3) → [1,1';4',1'']terphenyl (92-94-4,94363-13-0) + 4-phenylphenyl triflate (17763-78-9)

Guidance literature:

With (S)-(-)-2-methoxy-2'-diphenylphosphino-1,1'-binaphthyl; palladium dichloride; In diethyl ether; at 20 ℃; for 2h; Title compound not separated from byproducts;

DOI:10.1016/S0040-4039(97)01655-9

upstream raw materials:

4-bromophenyl trifluoromethanesulfonate

phenylmagnesium bromide

4-chlorophenyl trifluoromethanesulfonate

trimethyl(phenyl)stannane

Downstream raw materials:

biphenyl-4-carboxylic acid

(4-biphenylyl)-p-tolyl sulfone

biphenyl

4-tert-butylbiphenyl

Refernces

• 1、 Wern, Caroline,Ehrenreich, Christian,Joosten, Dominik,Stein, Thorsten vom,Buchholz, Herwig,K?nig, Burkhard. "Rapid Access to Bi- and Tri-Functionalized Dibenzofurans and their Application in Selective Suzuki–Miyaura Cross Coupling Reactions". . p. 5644 - 5656. Retrieved 2018/10/09.
• 2、 -. "Metal-catalyzed amination of organic sulfonates to organic amines". . . Retrieved 2008/06/13.