2,3,4,5,6-PENTAFLUOROPHENYL 4-METHYLBENZENESULFONATE

Base Information

• Chemical Name: 2,3,4,5,6-PENTAFLUOROPHENYL 4-METHYLBENZENESULFONATE
• CAS No.: 2069-36-5
• Molecular Formula: C13H7F5O3S
• Molecular Weight: 338.255
• Hs Code.: 2906299090
• Mol file: 2069-36-5.mol

Synonyms:pentafluorophenyl hexadecanoate;pentafluorophenyl palmitate;Toluol-4-sulfonsaeure-pentafluorphenylester;pentafluorophenyl tosylate;pentafluorophenyl-p-toluenesulfonate;toluene-4-sulfonic acid pentafluorophenyl ester;Hexadecanoic acid,pentafluorophenyl ester;palmitic acid pentafluorophenyl ester;

Chemical Property of 2,3,4,5,6-PENTAFLUOROPHENYL 4-METHYLBENZENESULFONATE

Chemical Property:

• Melting Point: 65-67°C
• Boiling Point: 372.9±42.0 °C(Predicted)
• PSA: 51.75000
• Density: 1.534±0.06 g/cm3(Predicted)
• LogP: 4.53900

Purity/Quality:

98.5% ^*data from raw suppliers

2,3,4,5,6-Pentafluorophenyl4-Methylbenzenesulfonate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2,3,4,5,6-PENTAFLUOROPHENYL 4-METHYLBENZENESULFONATE

There total 4 articles about 2,3,4,5,6-PENTAFLUOROPHENYL 4-METHYLBENZENESULFONATE 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%

2,3,4,5,6-pentafluorophenol (771-61-9) + 4-methylbenzenediazonium tetrafluoroborate (459-44-9) → pentafluorophenyl 4-methylphenylsulfonate ester (2069-36-5)

Guidance literature:

With copper(l) iodide; 1,4-diazabicyclo [2.2.2] octane-1,4-diium-1,4-disulfinate; In acetonitrile; at 85 ℃; for 12h;

DOI:10.1021/acs.orglett.1c01056

Reference yield: 92.0%

2,3,4,5,6-pentafluorophenol (771-61-9) + p-toluenesulfonyl chloride (98-59-9) → pentafluorophenyl 4-methylphenylsulfonate ester (2069-36-5)

Guidance literature:

2,3,4,5,6-pentafluorophenol; With triethylamine; In dichloromethane; at 0 ℃; for 0.0833333h;

p-toluenesulfonyl chloride; In dichloromethane; at -78 - 20 ℃; for 3h;

DOI:10.1021/acs.orglett.6b02343

Reference yield: 86.0%

2,3,4,5,6-pentafluorophenol (771-61-9) + 4-methylphenylboronic acid (5720-05-8) → pentafluorophenyl 4-methylphenylsulfonate ester (2069-36-5)

Guidance literature:

4-methylphenylboronic acid; With 1,4-diazabicyclo [2.2.2] octane-1,4-diium-1,4-disulfinate; tetrabutylammomium bromide; palladium diacetate; In methanol; at 80 ℃; for 0.5h; Sealed tube;

2,3,4,5,6-pentafluorophenol; With sodium persulfate; triethylamine; sodium bromide; copper(ll) bromide; In methanol; at 20 ℃; for 18h; Reagent/catalyst; Catalytic behavior; Molecular sieve; Sealed tube;

DOI:10.1021/acs.orglett.8b02445

upstream raw materials:

p-toluenesulfonyl chloride

2,3,4,5,6-pentafluorophenol

4-methylphenylboronic acid

4-methylbenzenediazonium tetrafluoroborate

Downstream raw materials:

2,3,4,5,6-pentafluorobenzophenone

N-hexyl p-toluenesulfonamide