(2S,3S)-1,2-Epoxy-3-(Cbz-amino)-4-phenylbutane supplier

Name
(2S,3S)-1,2-Epoxy-3-(Cbz-amino)-4-phenylbutane
EINECS
CAS No. 128018-44-0
Article Data48
CAS DataBase
Density 1.206 g/cm³
Solubility
Melting Point 77-80 °C(Solv: hexane (110-54-3); ethyl acetate (141-78-6))
Formula C₁₈H₁₉NO₃
Boiling Point 481.8 °C at 760 mmHg
Molecular Weight 297.354
Flash Point 245.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Carbamicacid, (1-oxiranyl-2-phenylethyl)-, phenylmethyl ester, [S-(R*,R*)]-;Carbamicacid, [(1S)-1-(2S)-oxiranyl-2-phenylethyl]-, phenylmethyl ester (9CI);Benzyl[(1S)-1-((2S)-oxiran-2-yl)-2-phenylethyl]carbamate;Benzyl[(1S)-1-((2S)-oxiranyl)-2-phenylethyl]carbamate;
PSA 50.86000
LogP 3.31380

(2S,3S)-1,2-Epoxy-3-(Cbz-amino)-4-phenylbutane Specification

The (2S,3S)-1,2-Epoxy-3-(Cbz-amino)-4-phenylbutane, its cas register number is 128018-44-0. It also can be called as Carbamic acid,N-[(1S)-1-[(2S)-2-oxiranyl]-2-phenylethyl]-, phenylmethyl ester and the Systematic name about this chemical is benzyl N-[(1S)-1-(oxiran-2-yl)-2-phenyl-ethyl]carbamate. It belongs to the API intermediates.

Following are the chemical properties about (2S,3S)-1,2-Epoxy-3-(Cbz-amino)-4-phenylbutane: (1)#H bond acceptors: 4; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 7; (4)Polar Surface Area: 50.86Å²; (5)Index of Refraction: 1.593; (6)Molar Refractivity: 83.67 cm³; (7)Molar Volume: 246.6 cm³; (8)Polarizability: 33.16x10^-24cm³; (9)Surface Tension: 50.8 dyne/cm; (10)Enthalpy of Vaporization: 74.66 kJ/mol; (11)Vapour Pressure: 1.93E-09 mmHg at 25°C

This chemical can be described computed from structure:
(1)SMILES: c1ccc(cc1)C[C@@H](C2CO2)NC(=O)OCc3ccccc3
(2)InChI: InChI=1/C18H19NO3/c20-18(22-12-15-9-5-2-6-10-15)19-16(17-13-21-17)11-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2,(H,19,20)/t16-,17?/m0/s1
(3)InChIKey: DURMMNMFHRIMJD-BHWOMJMDBY
(4)Std. InChI: InChI=1S/C18H19NO3/c20-18(22-12-15-9-5-2-6-10-15)19-16(17-13-21-17)11-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2,(H,19,20)/t16-,17?/m0/s1
(5)Std. InChIKey: DURMMNMFHRIMJD-BHWOMJMDSA-N

Product Name

(2S,3S)-1,2-Epoxy-3-(Cbz-amino)-4-phenylbutane

(2S,3S)-1,2-Epoxy-3-(Cbz-amino)-4-phenylbutane Specification

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