100516-54-9
| Name | Benzyl (2R,3S)-(-)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate |
| CAS | 100516-54-9 |
| Molecular Formula | C24H21NO4 |
| MDL Number | MFCD00074958 |
| Molecular Weight | 387.43 |
| MOL File | 100516-54-9.mol |
Chemical Properties
| Melting point | 205-207 °C(lit.) |
| alpha | -66 º (c=5.5 in methylene chloride) |
| Boiling point | 583.5±50.0 °C(Predicted) |
| density | 1.242±0.06 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| solubility | Chloroform (Slightly), Dichloromethane (Slightly), DMSO (Slightly) |
| form | Solid |
| pka | -3.33±0.60(Predicted) |
| color | White |
| Optical Rotation | [α]25/D 66°, c = 5.5 in methylene chloride |
| InChI | InChI=1S/C24H21NO4/c26-21-16-25(24(27)28-17-18-10-4-1-5-11-18)22(19-12-6-2-7-13-19)23(29-21)20-14-8-3-9-15-20/h1-15,22-23H,16-17H2/t22-,23+/m0/s1 |
| InChIKey | HECRUWTZAMPQOS-XZOQPEGZSA-N |
| SMILES | N1(C(OCC2=CC=CC=C2)=O)CC(=O)O[C@H](C2=CC=CC=C2)[C@@H]1C1=CC=CC=C1 |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| HS Code | 29349990 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |