Phenyl 4-methylbenzenesulfonate

Base Information

Chemical Name:Phenyl 4-methylbenzenesulfonate
CAS No.:640-60-8
Molecular Formula:C13H12 O3 S
Molecular Weight:248.302
Hs Code.:2906299090
European Community (EC) Number:622-336-2
NSC Number:14917,10407
DSSTox Substance ID:DTXSID10278879
Nikkaji Number:J134.372F
Wikidata:Q82011064
ChEMBL ID:CHEMBL1732229
Mol file:640-60-8.mol

Synonyms:Phenyl 4-methylbenzenesulfonate;640-60-8;Phenyl p-Toluenesulfonate;p-Toluenesulfonic Acid Phenyl Ester;Phenyl para-toluenesulfonate;phenyl tosylate;phenyl 4-toluenesulfonate;MLS002638141;phenyl 4-methylbenzene-1-sulfonate;SCHEMBL346667;Phenyl p-methylbenzenesulfonate;CHEMBL1732229;DTXSID10278879;Phenyl 4-methylbenzenesulfonate #;HMS3093M06;NSC10407;NSC14917;MFCD00025996;NSC-10407;NSC-14917;STL570516;AKOS000528683;AS-60489;SMR001547631;CS-0153019;FT-0632723;P0239;D70396;AE-641/00787059

Suppliers and Price of Phenyl 4-methylbenzenesulfonate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Usbiological
Phenyl Tosylate
1g
$ 326.00

TRC
PhenylTosylate
2.5g
$ 105.00

TCI Chemical
Phenyl p-Toluenesulfonate >99.0%(GC)
25g
$ 70.00

TCI Chemical
Phenyl p-Toluenesulfonate >99.0%(GC)
10g
$ 36.00

Sigma-Aldrich
PHENYL PARA-TOLUENESULFONATE Aldrich
250mg
$ 144.00

Oakwood
Phenyltosylate 98%
1g
$ 30.00

Crysdot
Phenyl4-methylbenzenesulfonate 95+%
100g
$ 327.00

American Custom Chemicals Corporation
PARA-TOLUENESULFONIC ACID PHENYL ESTER 99.00%
50G
$ 2838.99

Alichem
Phenyl4-methylbenzenesulfonate
100g
$ 339.90

AK Scientific
p-Toluenesulfonicacidphenylester
25g
$ 140.00

Total 21 raw suppliers

Chemical Property of Phenyl 4-methylbenzenesulfonate

Chemical Property:

Melting Point:94-98 °C
Boiling Point:155-158 °C(Press: 7 Torr)
Flash Point:187.1oC
PSA：51.75000
Density:1.245±0.06 g/cm3(Predicted)
LogP:3.84350
Storage Temp.:Sealed in dry,Room Temperature
Solubility.:Chloroform (Slightly), Methanol (Slightly)
XLogP3:3.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:248.05071541
Heavy Atom Count:17
Complexity:317

Purity/Quality:

99% ^*data from raw suppliers

Phenyl Tosylate ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 37/39-26

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2
Uses Phenyl Tosylate is an intermediate in synthesizing Diclofenac-13C6 Sodium Salt (D436453), which is a labelled analogue of Diclofenac Sodium Salt (D436450).

Technology Process of Phenyl 4-methylbenzenesulfonate

There total 63 articles about Phenyl 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: 100.0%

: 98-59-9
p-toluenesulfonyl chloride

: 108-95-2,27073-41-2
phenol

: 640-60-8
toluene-4-sulfonic acid phenyl ester

Guidance literature:: With sodium hydroxide; In tetrahydrofuran; water; at 0 - 20 ℃; for 2h; Green chemistry;
DOI:10.1055/s-0034-1378867

Reference yield: 100.0%

: 38111-44-3
phenylzinc(II) bromide

: 98-59-9
p-toluenesulfonyl chloride

: 640-60-8
toluene-4-sulfonic acid phenyl ester

Guidance literature:: With copper(l) iodide; N,N,N,N,-tetramethylethylenediamine; oxygen; In tetrahydrofuran; at 0 - 20 ℃; Inert atmosphere;
DOI:10.1039/c4ob00638k

Reference yield: 100.0%

: 1078-58-6
diphenylzinc

: 98-59-9
p-toluenesulfonyl chloride

: 640-60-8
toluene-4-sulfonic acid phenyl ester

Guidance literature:: With copper(l) iodide; N,N,N,N,-tetramethylethylenediamine; phenol; In tetrahydrofuran; at 0 - 20 ℃; Inert atmosphere;
DOI:10.1039/c4ob00638k