Pentafluorobenzyl p-Toluenesulfonate

Base Information

• Chemical Name: Pentafluorobenzyl p-Toluenesulfonate
• CAS No.: 32974-36-0
• Molecular Formula: C₁₄H₉F₅O₃S
• Molecular Weight: 352.282
• Hs Code.: 2906299090
• European Community (EC) Number: 671-151-3
• DSSTox Substance ID: DTXSID80379746
• Nikkaji Number: J209.043K
• Wikidata: Q82169700
• Mol file: 32974-36-0.mol

Synonyms:32974-36-0;Pentafluorobenzyl p-Toluenesulfonate;(2,3,4,5,6-pentafluorophenyl)methyl 4-methylbenzenesulfonate;p-Toluenesulfonic Acid Pentafluorobenzyl Ester;(Perfluorophenyl)methyl 4-methylbenzenesulfonate;PFB - Tosylate;2,3,4,5,6-Pentafluorobenzyl p-toluenesulfonate;SCHEMBL776071;Pentafluorbenzyl-p-toluolsulfonat;DTXSID80379746;MFCD06248628;AKOS027383396;FS-5854;perfluorobenzyl 4-methylbenzenesulfonate;p-Toluenesulfonicacidpentafluorobenzylester;FT-0639071;T1204;(Perfluorophenyl)methyl4-methylbenzenesulfonate;T72308;A821537;p-Toluenesulfonic acid pentafluorophenylmethyl ester;(pentafluorophenyl)methyl 4-methylbenzene-1-sulfonate;Benzenemethanol, 2,3,4,5,6-pentafluoro-, 4-methylbenzenesulfonate;PENTAFLUOROBENZYL P-TOLUENESULFONATE [DERIVATIZING REAGENT FOR GC OF INORGANIC ANIONS]

Chemical Property of Pentafluorobenzyl p-Toluenesulfonate

Chemical Property:

• Melting Point: 78°C
• Boiling Point: 395.4°Cat760mmHg
• Flash Point: 192.9°C
• PSA: 51.75000
• Density: 1.495g/cm³
• LogP: 4.67680
• Solubility.: soluble in Methanol
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 352.01925613
• Heavy Atom Count: 23
• Complexity: 473

Purity/Quality:

98% ^*data from raw suppliers

PentafluorobenzylToluene-4-sulfonate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC2=C(C(=C(C(=C2F)F)F)F)F

Technology Process of Pentafluorobenzyl p-Toluenesulfonate

There total 1 articles about Pentafluorobenzyl p-Toluenesulfonate 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:

(2,3,4,5,6-pentafluorophenyl)methanol (440-60-8) + p-toluenesulfonyl chloride (98-59-9) → 2,3,4,5,6-Pentafluorbenzyl-toluol-p-sulfonat (32974-36-0)

Guidance literature:

With sodium hydroxide;

DOI:10.1039/j39710002062

Reference yield:

2,3,4,5,6-Pentafluorbenzyl-toluol-p-sulfonat (32974-36-0) → N-Methyl-N-pentafluorbenzyl-prop-2-inylamin (32777-63-2)

Guidance literature:

Multi-step reaction with 2 steps

1: Na₂CO₃ / ethanol

2: KF / dimethylformamide

With potassium fluoride; sodium carbonate; In ethanol; N,N-dimethyl-formamide;

DOI:10.1039/j39710002062

Reference yield:

N-Methyl-2-brom-allylamin (28952-70-7) + 2,3,4,5,6-Pentafluorbenzyl-toluol-p-sulfonat (32974-36-0) → N-2-Bromallyl-N-methyl-N-2,3,4,5,6-pentafluorbenzylamin (32974-37-1)

Guidance literature:

With sodium carbonate; In ethanol;

DOI:10.1039/j39710002062

upstream raw materials:

(2,3,4,5,6-pentafluorophenyl)methanol

p-toluenesulfonyl chloride

Downstream raw materials:

N-2-Bromallyl-N-methyl-N-2,3,4,5,6-pentafluorbenzylamin

N-Methyl-N-pentafluorbenzyl-prop-2-inylamin