Pyridinium p-toluenesulfonate

Base Information

• Chemical Name: Pyridinium p-toluenesulfonate
• CAS No.: 24057-28-1
• Molecular Formula: C7H8O3S^.C5H5N
• Molecular Weight: 251.306
• Hs Code.: 29333100
• Wikipedia: Pyridinium_p-toluenesulfonate
• Mol file: 24057-28-1.mol

Synonyms:Pyridinium p-toluenesulfonate;PPTS;Pyridin-1-ium 4-methylbenzenesulfonate;pyridinium tosylate;pyridinium-p-toluenesulfonate;pyridinium para-toluenesulfonate;p-Toluenesulfonic acid pyridine salt;pyridinium p-toluene sulphonate;4-Toluenesulfonicacidpyridiniumsalt;4-methylbenzenesulfonate;pyridin-1-ium;14265-88-4;pyridinium 4-methylbenzenesulfonate;pyridiniumtosylate;PYRIDINE TOSYLATE;pyridine p-toluenesulphonate;pyridinium p-toluenesufonate;pyridinium p-toluenesulfonat;pyridinium p-toluensulfonate;pyridinium 4-toluensulfonate;pyridiniump-toluenesulphonate;pyridiniump-toluene sulfonate;pyridinium 4-tolyl sulfonate;pyridinium-toluene4-sulfonate;SCHEMBL20958;pyridine toluene-4-sulphonate;Pyridinium p-toluenesulfonates;pyridinium p-toluenesulphonate;pyridiniurn p-toluenesulfonate;Pyridine toluene 4-sulphonate;pyridinium 4-toluenesulphonate;pyridinium paratoluenesulfonate;pyridinium toluene-p-sulfonate;pyridinium-p-toluene sulfonate;C7H8O3S.C5H5N;Pyridinium p-toluene-sulfonate;pyridinium para-toluensulfonate;pyridinium rho-toluenesulfonate;Pyridiniumpara-toluenesulfonate;p-toluenesulfonic acid pyridine;Pyrdinium para-toluenesulfonate;pyridine p-toluenesulfonic acid;pyridinium 4-toluene-sulfonate;pyridinium p-toluene-sulphonate;pyridinium toluene-4-sulfonate;pyridinium paratoluene sulfonate;pyridinium p - toluenesulfonate;pyridinium para-toluene sulfonate;pyridinium (toluene-4-sulfonate);pyridinium p-toluenesulfonate salt;pyridinium-(toluene-4-sulfonate);pyridine 4-methylbenzene sulfonate;pyridinium (toluene-4-sulphonate);Pyridinium para-toluene sulphonate;pyridinium p-toluenesulfonate (ppts);p-toluene sulfonic acid pyridine salt;C7-H8-O3-S.C5-H5-N;p-toluenesulfonic acid pyridinium salt;4-methylbenzenesulfonic acid;pyridine;AKOS015891539;4-toluenesulphonic acid pyridinium salt;4-toluene sulphonic acid pyridinium salt;SY005668;Toluene-4-sulfonate1,2-dihydro-pyridinium;FT-0619532;P0942;A817066;J-610007;Q-201643;PyridiniuM p-toluenesulfonate;Pyridinium p-toluene sulfonate (PPTS)

Chemical Property of Pyridinium p-toluenesulfonate

Chemical Property:

• Appearance/Colour: white to light beige crystalline powder
• Vapor Pressure: 1.29E-08mmHg at 25°C
• Melting Point: 117-120 °C
• Refractive Index: 1.6000 (estimate)
• Boiling Point: 442.7 °C at 760 mmHg
• Flash Point: 221.6 °C
• PSA: 75.64000
• Density: 1.2829 (rough estimate)
• LogP: 3.40410
• Storage Temp.: Store below +30°C.
• Sensitive.: Moisture Sensitive
• Solubility.: DMSO (Sparingly), Methanol (Slightly)
• Water Solubility.: decomposes
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 251.06161445
• Heavy Atom Count: 17
• Complexity: 224

Purity/Quality:

98% ^*data from raw suppliers

Pyridinium p-Toluenesulfonate ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Pyridines
• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=[NH+]C=C1
• Uses: As a co-catalyst with L-proline improved both yield and enantioselectivity of an asymmetric aldol condensation between dioxanones and aldehydes.1 Pyridinium p-Toluenesulfonate is used in the synthesis of a subdomain of the cytochrome P450 BM3 enzyme, for use in screening systems for drug candidates. Pyridinium p-Toluenesulfate is used in the synthesis of a subdomain of the cytochrome P450 BM3 enzyme, for use in screening systems for drug candidates.

Technology Process of Pyridinium p-toluenesulfonate

There total 4 articles about Pyridinium 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: 87.0%

→ pyridinium p-toluenesulfonate (24057-28-1)

Guidance literature:

Reference yield: 82.19%

pyridine (110-86-1) + toluene-4-sulfonic acid (104-15-4) → pyridinium p-toluenesulfonate (24057-28-1)

Guidance literature:

In tetrahydrofuran; at 0 - 20 ℃; Inert atmosphere;

Reference yield:

pyridine (110-86-1) + methyl p-toluene sulfonate (80-48-8) → pyridinium p-toluenesulfonate (24057-28-1)

Guidance literature:

at 0 - 20 ℃;

DOI:10.1515/hc-2012-0180

upstream raw materials:

pyridine

methyl p-toluene sulfonate

toluene-4-sulfonic acid

Downstream raw materials:

(2R,3R)-2-Hydroxy-5-methyl-3-(toluene-4-sulfonyloxy)-hexanoic acid ethyl ester

N-[(1E)-(4-bromo-2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide

2-hydroxy-4-[(tetrahydro-2H-pyran-2-yl)oxy]benzaldehyde

1-(3-methoxybenzyloxy)-2,2,4,4-tetramethyl-5-(tetrahydro-2H-pyran-2-yloxy)-pentan-3-ol

Refernces

• 1、 Enomoto et al.. "". . p. 3140. Retrieved 1971.
• 2、 -. "Preparation method of 3-(3-luorobenzyl)-4-(3-fluorobenzyloxy)benzaldehyde". Paragraph 0065; 0066; 0067. . Retrieved 2017/08/28.
• 3、 -. "2-(3-fluorobenzyloxy)-5-formylphenylboronic acid and preparation method thereof". Paragraph 0073; 0074; 0075. . Retrieved 2017/08/27.