Molecular Formula | C4H2D9N |
Molar Mass | 82.19 |
Density | 0.933 g/mL at 25 °C |
Melting Point | -67 °C (lit.) |
Boling Point | 46 °C (lit.) |
Flash Point | 16°F |
Storage Condition | 0-6°C |
Refractive Index | n20/D 1.401(lit.) |
MDL | MFCD00084112 |
Risk Codes | R11 - Highly Flammable R20/22 - Harmful by inhalation and if swallowed. R35 - Causes severe burns |
Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) |
UN IDs | UN 3286 3/PG 2 |
WGK Germany | 3 |
Use | tert-butylamine-d9 is a stable isotope labeled tert-butylamine, can be used for the preparation of stable isotope labeled beta receptor agonist compounds. This property of stable isotope dilution mass spectrometry is combined with the high sensitivity of LC/MS and the ability to process complex samples, so that the chromatography/isotope dilution mass spectrometry technology is recognized as a kind of standard method for measuring trace and trace organic matter. |
preparation | in a ml flask with a thermometer and condenser, add 3.607g(0.1mol) of methanol-D4, cooling to 0 ℃, under stirring conditions, slowly add 38.071g(0.15mol) of iodine, and appropriate amount of red phosphorus, methyl iodide-D3 was obtained by distillation, and then the above-prepared methyl iodide-D3 was used to prepare a format reagent, and 6.412g (0.1mol) was slowly added dropwise at 2 ℃. Acetone-D6, reaction at room temperature for 3H, dilute hydrochloric acid to quench the reaction to obtain tert-butyl alcohol-D6. After the obtained tert-butanol-D6 is purified by distillation , the reaction temperature is controlled at -10 ℃, and 7.722g(0.15mol) of imine chloride is added dropwise to tert-butanol-D6 and the catalyst, the reaction was continued for 2H after the addition of Dropwise . The reaction solution was subjected to rectification to obtain 3.734g of tert-butylamine-d9 product, and the recovery rate of methanol-D4 was 45.4%, the chromatographic purity was more than 99.0%, and the D isotope abundance was 98.8atom%D by mass spectrometry. |