4-Methylphenyl nonafluorobutane-1-sulfonate

Base Information

• Chemical Name: 4-Methylphenyl nonafluorobutane-1-sulfonate
• CAS No.: 93131-73-8
• Molecular Formula: C11H7F9O3S
• Molecular Weight: 390.226
• DSSTox Substance ID: DTXSID40896040
• Nikkaji Number: J2.558.960B
• Mol file: 93131-73-8.mol

Synonyms:4-Methylphenyl nonafluorobutane-1-sulfonate;93131-73-8;DTXSID40896040;LVSCDTZNQBYJIP-UHFFFAOYSA-N;NS00110413

Chemical Property of 4-Methylphenyl nonafluorobutane-1-sulfonate

Chemical Property:

• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 5
• Exact Mass: 389.99721871
• Heavy Atom Count: 24
• Complexity: 542

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F

Technology Process of 4-Methylphenyl nonafluorobutane-1-sulfonate

There total 3 articles about 4-Methylphenyl nonafluorobutane-1-sulfonate 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:

p-cresol (106-44-5) + Nonafluorobutanesulfonyl fluoride (375-72-4) + phenylboronic acid (98-80-6) → 4-Methylbiphenyl (644-08-6) + 4-tolyl perfluorobutanesulfonate (93131-73-8)

Guidance literature:

With 2-dicyclohexylphosphino-2′,6′-dimethoxybiphenyl; palladium diacetate; caesium carbonate; In acetonitrile; at 60 ℃; for 14h; Inert atmosphere;

DOI:10.1055/s-0032-1317076

Reference yield:

p-cresol (106-44-5) + Nonafluorobutanesulfonyl fluoride (375-72-4) + 2-phenyl-4,4,5,5-tetramethyl-1,3,2-dioxoborole (24388-23-6) → 4-Methylbiphenyl (644-08-6) + 4-tolyl perfluorobutanesulfonate (93131-73-8)

Guidance literature:

With 2-dicyclohexylphosphino-2′,6′-dimethoxybiphenyl; palladium diacetate; caesium carbonate; In acetonitrile; at 60 ℃; for 46h; Inert atmosphere;

DOI:10.1055/s-0032-1317076

Reference yield:

p-cresol (106-44-5) + Nonafluorobutanesulfonyl fluoride (375-72-4) + 2-phenyl-4,4,5,5-tetramethyl-1,3,2-dioxoborole (24388-23-6) → 4-tolyl perfluorobutanesulfonate (93131-73-8)

Guidance literature:

With 2-dicyclohexylphosphino-2′,6′-dimethoxybiphenyl; palladium diacetate; caesium carbonate; In acetonitrile; at 60 ℃; for 15h; Inert atmosphere;

DOI:10.1055/s-0032-1317076

upstream raw materials:

p-cresol

Nonafluorobutanesulfonyl fluoride

phenylboronic acid

2-phenyl-4,4,5,5-tetramethyl-1,3,2-dioxoborole

Downstream raw materials:

ethyl (4-methylphenyl)phenylphosphinate

diethyl 4-methylphenylphosphonate

(4-methylphenyl)di(n-butyl)phosphine oxide

tri(4-methylphenyl)phosphine oxide