| Identification | More | [Name]
(2S,3S)-1,2-Epoxy-3-(Boc-amino)-4-phenylbutane | [CAS]
98737-29-2 | [Synonyms]
1-Benzyl-2,3-epoxypropyl-carbamic acid tert-butyl ester
[1(S)-BENZYL-2(S),3-EPOXYPROPYL]-CARBAMIC ACID TERT-BUTYL ESTER
(2S,3S)-1,2-Epoxy-3-(Boc-amino)-4-phenylbutane
2S,3S-1,2-EPOXY-3-(T-BUTOXYCARBONYLAMINO)-4-PHENYLBUTANE
3S-(T-BOC)AMINO-1,2-(S)-EPOXY-4-PHENYLBUTANE
(S)-(1-OXIRANYL-2-PHENYLETHYL)-CARBAMIC ACID TERT-BUTYL ESTER
T-BUTYL [S-(R*,R*)]-(-)-(1-OXIRANYL-2-PHENYLETHYL)CARBAMATE
TERT-BUTYL [S-(R,R)]-(-)-(1-OXIRANYL-2-PHENYLETHYL)CARBAMATE
Boc-Epoxide
Carbamic acid,[(1S)-1-(2S)-oxiranyl-2-phenylethyl]-,1,1-dimethylethyl ester
(2s,3s)-N-Boc-3-Amino-1,2-Epoxy-4-Phenyl-1-Hydroxybutane
(2S,3S)-1,2-EPOXY-3-(BOC-AMINO)-4-PHENY&
[(1S)-1-((2S)-Oxiranyl)-2-phenylethyl]carbamicac
(2S,3S)-3-(T-ButoxyCarbonylAmino)-4-Phenyl-1,2EpoxyButane,SaquinavirMesylate,
(2S, 3S)-3-(t-Butoxy Carbonyl Amino)-4-Phenyl-1,2-Epoxy-Butane
(2S,3S)-N-Tert-boc-3-amino-1,2-epoxy-4-phenylbutane
(1S,2S)-Boc epoxide
(2S,3S)-3-(N-Boc-amino)-1-oxirane-4-phenylbutane
tert-butyl (S-(R*,R*))-(-)-(1-oxiranyl-2-phenylet
(2S,3S)-(-)-3-tert-Butoxycarbonylamino-1,2-epoxy-4-phenylbutane | [EINECS(EC#)]
425-420-5 | [Molecular Formula]
C15H21NO3 | [MDL Number]
MFCD02258997 | [Molecular Weight]
263.33 | [MOL File]
98737-29-2.mol |
| Questions And Answer | Back Directory | [Synthesis]
Compound 7 (3.0 g, 10.0 mmol) and KOH (1.68 g, 30.0 mmol) were added separately to 20 mL of ethanol and cooled to approximately 5 °C. The KOH in the ethanol was gradually added to the mixture while stirring. The reaction was stirred for another 1 hour and then concentrated under vacuum. The crude mixture was dissolved in 40 mL of ethyl acetate, washed with water (30 mL) and brine (30 mL), dried over Na₂SO₄, filtered, and concentrated under vacuum to give a white solid, 2.42 g, 92% yield. 1 h NMR (TMS 400 MHz, CDCl3) δ (ppm) 1.38 (decadal, 9 h), 2.76 (br, 1 h), 2.78 - -2.81 (m, 1 h), 2.87 - -2.99 (m, 3 h), 3.70 (decadal, br, 1 h), 4.49 (decadal, br, 1 h), 7.21-7.31 (m, 5 h). 13C NMR (CDCl3) δ (ppm) 28.3, 37.6, 46.9, 52.6, 53.2, 79.6, 126.7, 128.6, 129.5, 136.8, 155.3. ESI-MS: C15H21NNaO3 [M+Na]+, molecular weight 286.1414, further confirming that this compound is (2S,3S)-1,2-Epoxy-3-(Boc-amino)-4-phenylbutane. 
|
| Chemical Properties | Back Directory | [Appearance]
Off-White Solid | [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 | [form ]
powder to crystal | [pka]
12.19±0.46(Predicted) | [color ]
White to Almost white | [Optical Rotation]
[α]23/D 7°, c = 0.6 in methanol | [Water Solubility ]
Insoluble in water. Soluble in Chloroform, Dichloromethane and Ethyl Acetate. | [Usage]
Atazanavir intermediate. Enantiomer S | [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) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS09 | [Signal word ]
Warning | [Hazard statements ]
H410 | [Precautionary statements ]
P273-P501 | [Hazard Codes ]
F,Xi | [Risk Statements ]
R10:Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S7/9:Keep container tightly closed and in a well-ventilated place .
S16:Keep away from sources of ignition-No smoking .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [RIDADR ]
UN 3077 9 / PGIII | [WGK Germany ]
3
| [REACH Registrations]
Inactive | [HazardClass ]
9 | [PackingGroup ]
III | [HS Code ]
29242990 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Aquatic Acute 1
Aquatic Chronic 1 |
|
| Company Name: |
J & K SCIENTIFIC LTD.
|
| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Alfa Aesar
|
| Telephone: |
400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
| Company Name: |
China Langchem Inc.
|
| Telephone: |
0086-21-58956006 |
| Website: |
www.chemicalbook.com/ShowSupplierProductsList19141/0_EN.htm |
|