Molecular Formula | C9H16INO4 |
Molar Mass | 329.13 |
Density | 1.551±0.06 g/cm3(Predicted) |
Melting Point | 55-59°C(lit.) |
Boling Point | 356.5±32.0 °C(Predicted) |
Flash Point | 169.4°C |
Vapor Presure | 2.91E-05mmHg at 25°C |
pKa | 10.44±0.46(Predicted) |
Storage Condition | 2-8°C |
Refractive Index | 1.513 |
Physical and Chemical Properties | Storage Conditions: 2-8 ℃ WGK Germany:3 |
Use | This product is for scientific research only and shall not be used for other purposes. |
Risk Codes | 52 - Harmful to aquatic organisms |
WGK Germany | 3 |
FLUKA BRAND F CODES | 8-10 |
overview | BOC-3-iodine-D-alanine methyl ester is an organic synthesis intermediate and pharmaceutical intermediate, which is mostly used in laboratory research and development processes and chemical medicine In the synthesis process, it can be prepared by N-Boc-D-serine methyl ester iodide. It has been reported that BOC-3-iodine-D-alanine methyl ester can be used to prepare HIV inhibitors and EGFR inhibitors. |
preparation | under the condition of | 0 ℃, triethylamine (4ml,0.03mol,3eq.) and ditert-butyl dicarbonate (2.1g,0.01mol,1eq.) are added to acetonitrile (5ml) solution of compound i-1a(1.5g,0.01mol,1eq.), after reaction at room temperature for 5h, water is added to extract and concentrate the organic phase, the target compound i-1b (yield 95%) was obtained by silica gel column chromatography. Triphenylphosphine (9.0g,0.03mol,1.5eq.) and imidazole (2.3g,0.03mol,1.5eq.) were dissolved in dry dichloromethane (100ml) solution, iodine (8.7g,0.03mol,2eq.) was added to the reaction solution at 0 ℃, and the compound i-1b(5g,0.02mol,1eq.) were added to the reaction solution in batches after stirring for 45min, after stirring at room temperature for 2 hours, acetic acid (0.2ml) and sodium thiosulfate aqueous solution were added to quench the reaction, the organic phase was extracted and concentrated, and the target compound i-1c, namely BOC-3-iodine-D-alanine methyl ester, was separated by silica gel column chromatography (yield 90%).