|
|
| | Pyridinium p-Toluenesulfonate Basic information |
| | Pyridinium p-Toluenesulfonate Chemical Properties |
| 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) | | EPA Substance Registry System | Pyridinium p-toluenesulfonate (24057-28-1) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-36 | | WGK Germany | 3 | | F | 9-21 | | TSCA | TSCA listed | | HS Code | 29333100 |
| | Pyridinium p-Toluenesulfonate Usage And Synthesis |
| 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. | | Uses | 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. | | Flammability and Explosibility | Not classified | | 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 |
| | Pyridinium p-Toluenesulfonate Preparation Products And Raw materials |
|