Molecular Formula | C6H11NO2 |
Molar Mass | 129.16 |
Density | 1.04 g/cm3 |
Melting Point | 70-73°C |
Boling Point | 239.22°C (rough estimate) |
Specific Rotation(α) | -18 º (c=1, ethanol) |
Flash Point | 129.9°C |
Water Solubility | Soluble |
Solubility | very faint turbidity in EtOH |
Vapor Presure | 0.00198mmHg at 25°C |
Appearance | Crystalline Powder |
Color | White |
BRN | 5376658 |
pKa | 12.72±0.40(Predicted) |
Storage Condition | Sealed in dry,Room Temperature |
Refractive Index | 1.4300 (estimate) |
MDL | MFCD00075172 |
Hazard Symbols | Xi - Irritant |
Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
Safety Description | S22 - Do not breathe dust. S24/25 - Avoid contact with skin and eyes. S36 - Wear suitable protective clothing. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. |
WGK Germany | 3 |
FLUKA BRAND F CODES | 3 |
HS Code | 29349990 |
apply | (R)-() 4-isopropyl-2-oxazolinones can be used as intermediates in organic synthesis and pharmaceutical intermediates, mainly used in laboratory research and development process and chemical medicine generation process. |
preparation | to 2000l reaction, add 1000l of tetrahydrofuran, 151kg(1kmol)L-phenylglycine and 95kg sodium borohydride (2.5kmol), a slight Fever phenomenon, maintain 10-40 ℃ in 4-6 hours after the completion of the drop, the temperature is maintained and stirred for 1 hour, warm up to reflux in 1 small inlet, reflux at reflux temperature (about 64-66 ℃) for 2 hours, distilled back to hydrogen furan under normal and reduced pressure, slowly add 300l of water under cooling of circulating water, then add 75kg of sodium hydroxide and 300l of alkali aqueous solution, heat up to 98-100 ℃, reflux for 2 hours, add 1400l of toluene and 200l of ethanol for extraction, static layer, at a temperature of 70-80 ° C, the aqueous layer (the aqueous layer was extracted with 300L toluene and the organic layer was combined) was separated and 100kg of potassium carbonate was added to the toluene layer, Add ethyl chloroformate 120kg(1.1kmol) Dropwise at 60-80 ℃, Dropwise adding time 1 hour, dropwise addition is completed, keep the temperature at 60-80 ℃ and stir for 1 hour, heat acylated toluene solution under normal pressure, distilled off ethanol, using azeotropic, distilled off toluene and residual water, cooling at a temperature of 60 ℃, adding 7.5~10kg potassium tert-butoxide, heating to 70-90 ℃ cyclization, at this temperature, after stirring for 1 hour and cyclization, add 300-500kg of water, stir for 10min, stand still, separate the layers, remove the aqueous layer, (the aqueous layer is extracted with 300L of toluene and the organic layer is combined), partially remove the toluene under reduced pressure, the mixture was cooled to 10-15 °c, maintained at this temperature for 2 hours, and centrifuged to obtain the title product. The mother liquor was used directly as a toluene jacket for the next batch. The product was dried at 50-90 °c under vacuum. The yield was 155kg, The product was analyzed by HPLC and the content was more than 99.9%, and the R enantiomer was less than 0.1%. The yield was 95%. |