| Identification | More | [Name]
Pyridinium toluene-4-sulphonate | [CAS]
24057-28-1 | [Synonyms]
4-TOLUENESULFONIC ACID PYRIDINE SALT
POLY(4-VINYLPYRIDINIUM (TOLUENE-4-SULFONATE))
PPT
PPTS
P-TOLUENESULFONIC ACID PYRIDINE SALT
P-TOLUENESULFONIC ACID, PYRIDINIUM SALT
PYRIDINE P-TOLUENESULFONATE
PYRIDINIUM 4-TOLUENESULFONATE
PYRIDINIUM P-TOLUENESULFONATE
PYRIDINIUM P-TOLUENESULPHONATE
PYRIDINIUM TOLUENE-4-SULFONATE
PYRIDINIUM TOLUENE-4-SULFONATE POLYMER BOUND
PYRIDINIUM TOSYLATE
PYRIDINUM-P-TOLUENESULPHONATE
TOLUENE-4-SULFONATEPYRIDINIUM
TOLUENE-4-SULFONIC ACID PYRIDINE SALT
TOLUENE-4-SULFONIC ACID PYRIDINE SALT POLYMER BOUND
Benzenesulfonicacid,4-methyl-,compd.withpyridine(1:1)
p-Toluenesulfonicacid,pyridineadduct
pyridine,4-methylbenzenesulfonate | [EINECS(EC#)]
246-002-7 | [Molecular Formula]
C12H13NO3S | [MDL Number]
MFCD00013108 | [Molecular Weight]
251.3 | [MOL File]
24057-28-1.mol |
| Chemical Properties | Back Directory | [Appearance]
white to light beige crystalline powder or | [Melting point ]
117-120 °C
| [density ]
1.2829 (rough estimate) | [vapor pressure ]
40Pa at 20℃ | [refractive index ]
1.6000 (estimate) | [storage temp. ]
Store below +30°C. | [solubility ]
DMSO (Sparingly), Methanol (Slightly) | [form ]
Crystalline Powder or Crystals | [color ]
White to light beige | [Water Solubility ]
decomposes | [Sensitive ]
Moisture Sensitive | [BRN ]
3764305 | [InChI]
InChI=1S/C7H8O3S.C5H5N/c1-6-2-4-7(5-3-6)11(8,9)10;1-2-4-6-5-3-1/h2-5H,1H3,(H,8,9,10);1-5H | [InChIKey]
ZDYVRSLAEXCVBX-UHFFFAOYSA-N | [SMILES]
C1(S(=O)(=O)O)C=CC(C)=CC=1.C1=CC=NC=C1 | [CAS DataBase Reference]
24057-28-1(CAS DataBase Reference) | [Storage Precautions]
Moisture sensitive;Store under inert gas | [EPA Substance Registry System]
24057-28-1(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [F ]
9-21 | [TSCA ]
Yes | [HS Code ]
29333100 |
| Hazard Information | Back Directory | [Chemical Properties]
white to light beige crystalline powder or | [Uses]
As a co-catalyst with L-proline improved both yield and enantioselectivity of an asymmetric aldol condensation between dioxanones and aldehydes.1 | [Uses]
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.
| [Flammability and Explosibility]
Notclassified | [Synthesis]
(2) 4-methylbenzenesulfonic acid (5 g, 0.029 mol) and anhydrous tetrahydrofuran (40 mL) were added to the reactor under nitrogen protection and stirred at room temperature. The reaction mixture was cooled to 0-5 °C. At this temperature, a tetrahydrofuran solution of pyridine (2.75 g, 0.035 mol) was slowly added dropwise for 20 to 30 min, followed by continued stirring for 30 min. After completion of the reaction, the reaction mixture was filtered under nitrogen atmosphere and the solid product was collected. The filter cake was washed with anhydrous tetrahydrofuran (5 mL), and then the wet filter cake was placed in a vacuum oven and dried at 45-50 °C for 4 h to obtain the pyridinium salt of 4-methylbenzenesulfonate. The yield of the product was 6 g, the yield was 82.19% and the purity was 100% by HPLC. | [References]
[1] Patent: CN106565521, 2017, A. Location in patent: Paragraph 0072-0075
[2] Patent: CN106565442, 2017, A. Location in patent: Paragraph 0065; 0066; 0067
[3] Patent: CN106632223, 2017, A. Location in patent: Paragraph 0069; 0070; 0071
[4] Patent: CN106349269, 2017, A. Location in patent: Paragraph 0073; 0074; 0075
[5] Synthetic Communications, 2013, vol. 43, # 21, p. 2906 - 2912 |
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