Name | Propargyl benzenesulfonate |
Synonyms | Propargyl benzenesulfonate prop-2-ynyl benzenesulphonate 2-Propyn-1-yl benzenesulphonate prop-2-yn-1-yl benzenesulfonate Benzenesulphonic acid propargyl ester |
CAS | 6165-75-9 |
EINECS | 228-203-1 |
InChI | InChI=1/C9H8O3S/c1-2-8-12-13(10,11)9-6-4-3-5-7-9/h1,3-7H,8H2 |
InChIKey | RAGBYXLIHQFIPK-UHFFFAOYSA-N |
Molecular Formula | C9H8O3S |
Molar Mass | 196.22 |
Density | 1.271g/cm3 |
Melting Point | −30 °C(lit.) |
Boling Point | 327.8°C at 760 mmHg |
Flash Point | 150.9°C |
Vapor Presure | 0.000377mmHg at 25°C |
Storage Condition | 2-8°C |
Refractive Index | 1.547 |
Physical and Chemical Properties | EPA Chemical Information 2-Propyn-1-ol, 1-benzenesulfonate (6165-75-9) |
Use | Introduction Propargyl benzene sulfonic acid is also called propargyl benzene sulfonate. Benzenesulfonate derivatives are important intermediates in organic synthesis and are widely used. The propargyl structure is also an important group of some medicines. For example, rasagiline, an important drug for the treatment of primary Parkinson's disease, needs to introduce propargyl fragments; similarly, it is used for processing mosquito coils, electric mosquito coils, liquid mosquito coils and sprays The structure of propargyl methrin, a drug that prevents houseflies, mosquitoes, lice, cockroaches and other household pests, must also have propargyl fragments. |
Hazard Symbols | Xi - Irritant |
Risk Codes | R36/38 - Irritating to eyes and skin. |
Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
UN IDs | UN 1760 8/PG 2 |
WGK Germany | 3 |
FLUKA BRAND F CODES | 10 |
Hazard Class | 8 |
Packing Group | III |
Downstream Products | Prallethrin |
BRN | 1107228 |
Add 5kg of benzenesulfonyl chloride, 1.9kg of propargyl alcohol and 5kg of water to the 50-liter reactor, turn on the cooling device, control the temperature at 15 ℃, and drop 3kg of sodium carbonate/10kg of aqueous solution within 2 hours; After dropping, continue to stir the reaction at 15 ℃, the benzenesulfonyl chloride reaction in the gas phase detection system is complete, the liquid is still separated, the organic phase is washed with 2 × 5kg of salt water, and the anhydrous sodium sulfate is dried, distillate under reduced pressure and collect the 142-148 ℃/4mmHg fraction to obtain 3.8kg of propargyl benzenesulfonic acid with 69% yield and 99.1% gas phase purity. This method uses benzenesulfonyl chloride and propargyl alcohol as raw materials, and uses inorganic alkali as an acid trap in the aqueous phase to promote the reaction to obtain the target product; using this process does not introduce any other organic matter, the reaction is over, static stratification, and water The target product can be obtained by washing, and then high-purity propargyl benzenesulfonate can be obtained by removing water and distillation under reduced pressure.