98760-08-8

Name (2R,3S)-3-(tert-Butoxycarbonyl)amino-1,2-epoxy-4-phenylbutane
CAS 98760-08-8
EINECS(EC#) 619-374-7
Molecular Formula C15H21NO3
MDL Number MFCD00671705
Molecular Weight 263.33
MOL File 98760-08-8.mol

Chemical Properties

Appearance White Crystalline Powder
Melting point  50-52°C
Boiling point  398.8±25.0 °C(Predicted)
density  1.118±0.06 g/cm3(Predicted)
storage temp.  Sealed in dry,2-8°C
solubility  Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
form  Solid
pka 12.19±0.46(Predicted)
color  White to Off-White
Usage Atazanavir intermediate. Enantiomer R
InChI InChI=1/C15H21NO3/c1-15(2,3)19-14(17)16-12(13-10-18-13)9-11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3,(H,16,17)/t12-,13-/s3
InChIKey NVPOUMXZERMIJK-NYZMZBMTNA-N
SMILES [C@H]([C@@]1([H])OC1)(NC(=O)OC(C)(C)C)CC1C=CC=CC=1 |&1:0,1,r|
CAS DataBase Reference 98760-08-8(CAS DataBase Reference)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P305+P351+P338
HS Code  29242998

Hazard Information

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