Name | Methanol-d3 |
Synonyms | METHANOL-D3 Methanol-d3 METHAN-D3-OL METHANOL-D3OH METHYL-D3 ALCOHOL TETRADEUTEROMETHANOL |
CAS | 1849-29-2 |
EINECS | 217-435-9 |
Molecular Formula | CHD3O |
Molar Mass | 35.06 |
Density | 0.867 g/mL at 25 °C (lit.) |
Melting Point | 174-177 °C |
Boling Point | 65 °C (lit.) |
Flash Point | 52 °F |
Appearance | Liquid |
Color | Colorless |
BRN | 1732010 |
Storage Condition | Flammables area |
Explosive Limit | 5.5-36.5%(V) |
Refractive Index | n20/D 1.327(lit.) |
Risk Codes | R11 - Highly Flammable R23/25 - Toxic by inhalation and if swallowed. R39/23/24/25 - R23/24/25 - Toxic by inhalation, in contact with skin and if swallowed. |
Safety Description | S7 - Keep container tightly closed. S16 - Keep away from sources of ignition. S24 - Avoid contact with skin. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S36/37 - Wear suitable protective clothing and gloves. |
UN IDs | UN 1230 3/PG 2 |
WGK Germany | 3 |
FLUKA BRAND F CODES | 10 |
HS Code | 28459000 |
Raw Materials | Dimethoxymethylphenylsilane |
Downstream Products | DIMETHYL-D6 SULFATE |
Overview
Deuterated methanol (methanol-D3) is an important chemical raw materials and deuterated drug intermediates. The structure shown by the perdeuterated methanol (methanol-D3): CD3OD. In chemical synthesis, it is a commonly used nuclear magnetic resonance hydrogen spectrum detection reagent, which is widely used in experimental research work. In recent years, deuterated drugs have become a hot spot in drug research, and Deuterated methanol has been widely used in the research of deuterated drugs.
preparation
The preparation method of perdeuterated methanol (methanol-D3), specifically: open the valve of deuterium gas and carbon monoxide, and control the volume ratio of 1:1 premixed (deuterium and carbon monoxide were 2kg and 14kg, a total of 16kg). Through a catalyst bed of oxidized gold: platinum oxide: Rhodium oxide = 1:3:2 (mass ratio) at 210-380°C at a pressure of MPA at a rate of 2L/sec, after 24 hours of continuous circulation reaction, the reaction solution of whole Deuterated methanol (methanol-D3) was obtained in the separation kettle, and the obtained reaction solution was subjected to rectification to obtain whole Deuterated methanol (methanol-D3):3.2, yield 35.5%,GC purity 99.8%. Theoretical values of elemental analysis: C 33.30%, D 22.34%, O 44.36%; Measured values: C 33.32%, D 22.33%, O 44.35%.