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112741-50-1

Name tert-Butyl (2S,3R)-(+)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate
CAS 112741-50-1
EINECS(EC#) 627-150-5
Molecular Formula C21H23NO4
MDL Number MFCD00074953
Molecular Weight 353.41
MOL File 112741-50-1.mol
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Chemical Properties

Melting point  206 °C (dec.)(lit.)
alpha  86 º (c=5.5 in methylene chloride)
Boiling point  509.6±50.0 °C(Predicted)
density  1.175±0.06 g/cm3(Predicted)
storage temp.  2-8°C
solubility  soluble in THF, CH2Cl2
form  solid
pka -3.28±0.60(Predicted)
Optical Rotation [α]20/D +86°, c = 5.5 in methylene chloride
InChI InChI=1S/C21H23NO4/c1-21(2,3)26-20(24)22-14-17(23)25-19(16-12-8-5-9-13-16)18(22)15-10-6-4-7-11-15/h4-13,18-19H,14H2,1-3H3/t18-,19+/m1/s1
InChIKey MRUKRSQUUNYOFK-MOPGFXCFSA-N
SMILES N1(C(OC(C)(C)C)=O)CC(=O)O[C@@H](C2=CC=CC=C2)[C@H]1C1=CC=CC=C1
CAS DataBase Reference 112741-50-1(CAS DataBase Reference)

Safety Data

Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
WGK Germany  3

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