(2S,3S)-1,2-Epoxy-3-(Boc-amino)-4-phenylbutane , 99% , 98737-29-2

Synonym(s):
tert-Butyl [S-(R*,R*)]-(−)-(1-oxiranyl-2-phenylethyl)carbamate

CAS NO.：98737-29-2

Empirical Formula: C15H21NO3

Molecular Weight: 263.33

MDL number: MFCD02258997

EINECS: 425-420-5

PRODUCT Properties

• Melting point: 125-127 °C(lit.)
• alpha: -7°(23℃, c=0.6, CH3OH)
• Boiling point: 398.8±25.0 °C(Predicted)
• Density: 1.118±0.06 g/cm3(Predicted)
• storage temp.: Inert atmosphere,Store in freezer, under -20°C
• solubility: soluble in Chloroform, Dichloromethane, Ethyl Acetate, Methanol
• pka: 12.19±0.46(Predicted)
• form: powder to crystal
• color: White to Almost white
• optical activity: [α]23/D 7°, c = 0.6 in methanol
• Water Solubility: Insoluble in water. Soluble in Chloroform, Dichloromethane and Ethyl Acetate.
• InChI: InChI=1S/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+/m0/s1
• InChIKey: NVPOUMXZERMIJK-QWHCGFSZSA-N
• SMILES: C(OC(C)(C)C)(=O)N[C@H]([C@H]1CO1)CC1=CC=CC=C1
• CAS DataBase Reference: 98737-29-2(CAS DataBase Reference)

Description and Uses

It function as a building block employed in the synthesis of HIV-1 protease inhibitors and is also employed in synthesizing (hydroxyethyl)urea peptidomimetrics and arylsulfonamides possessing anti-HIV activity. It is a Enantiomer S. Atazanavir intermediate.

Safety

• Symbol(GHS): GHS09
• Signal word: Warning
• Hazard statements: H410
• Precautionary statements: P273-P501
• Hazard Codes: F,Xi,N
• Risk Statements: 10-36/37/38-50/53
• Safety Statements: 7/9-16-26-36/37/39-61-60
• RIDADR: UN 3077 9 / PGIII
• WGK Germany: 3
• HazardClass: 9
• PackingGroup: III
• HS Code: 29242990
• Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
• Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)