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CAS No.: | 98760-08-8 |
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Name: | (2R,3S)-3-(tert-Butoxycarbonyl)amino-1,2-epoxy-4-phenylbutane |
Article Data: | 75 |
Molecular Structure: | |
Formula: | C15H21NO3 |
Molecular Weight: | 263.337 |
Synonyms: | Carbamicacid, (1-oxiranyl-2-phenylethyl)-, 1,1-dimethylethyl ester, [R-(R*,S*)]-;Carbamic acid, [(1S)-1-(2R)-oxiranyl-2-phenylethyl]-, 1,1-dimethylethyl ester(9CI);tert-Butyl [(1S)-1-[(2R)-oxiranyl]2-phenylethyl]carbamate; |
EINECS: | 619-374-7 |
Density: | 1.118 g/cm3 |
Boiling Point: | 398.837 °C at 760 mmHg |
Flash Point: | 195.01°C |
Appearance: | white crystalline powder |
PSA: | 50.86000 |
LogP: | 2.91210 |
(2S,3S)-1-bromo-3-<(tert-butoxycarbonyl)amino>-4-phenyl-2-butanol
(2R,3S)-3-[N-(tert-butyloxycarbonyl)amino]-1,2-epoxy-4-phenylbutane
Conditions | Yield |
---|---|
With potassium hydroxide In methanol for 3h; Ambient temperature; | 100% |
Acetic acid (1R,2S)-1-bromomethyl-2-tert-butoxycarbonylamino-3-phenyl-propyl ester
(2R,3S)-3-[N-(tert-butyloxycarbonyl)amino]-1,2-epoxy-4-phenylbutane
Conditions | Yield |
---|---|
With potassium carbonate In methanol at 20℃; | 99% |
((S)-1-benzylallyl)carbamic acid tert-butyl ester
(2R,3S)-3-[N-(tert-butyloxycarbonyl)amino]-1,2-epoxy-4-phenylbutane
Conditions | Yield |
---|---|
With 3-chloro-benzenecarboperoxoic acid In dichloromethane for 2h; Concentration; | 98.7% |
With 3-chloro-benzenecarboperoxoic acid In dichloromethane at 0 - 20℃; for 1h; Concentration; | 97.8% |
With 3-chloro-benzenecarboperoxoic acid In dichloromethane Epoxidation; | 82% |
(2R,3S)-3-[N-(tert-butyloxycarbonyl)amino]-1,2-epoxy-4-phenylbutane
Conditions | Yield |
---|---|
With potassium hydroxide In tetrahydrofuran; ethanol at -15℃; for 2h; Temperature; Inert atmosphere; | 98% |
(2R,3S)-3-[N-(tert-butyloxycarbonyl)amino]-1,2-epoxy-4-phenylbutane
Conditions | Yield |
---|---|
With potassium hydroxide In ethanol at 5℃; for 0.5h; | 95% |
(2R,3S)-1-Chloro-2-hydroxy-3-N-(tert-butoxycarbonyl)amino-4-phenylbutane
(2R,3S)-3-[N-(tert-butyloxycarbonyl)amino]-1,2-epoxy-4-phenylbutane
Conditions | Yield |
---|---|
With sodium hydroxide In water; isopropyl alcohol at 4℃; for 1 - 2.5h; | 93.4% |
With sodium hydroxide In water; acetone at 25℃; for 3h; | 93% |
With sodium hydroxide In water; isopropyl alcohol at 0℃; for 4h; Product distribution / selectivity; | 93% |
(2S,3S)-3-[(tert-butoxycarbonyl)amino]-2-[(methylsulfonyl)oxy]-4-phenylbutyl acetate
(2R,3S)-3-[N-(tert-butyloxycarbonyl)amino]-1,2-epoxy-4-phenylbutane
Conditions | Yield |
---|---|
With potassium carbonate In tetrahydrofuran; methanol at 25℃; for 20h; | 90% |
With potassium carbonate In tetrahydrofuran; methanol at 20 - 30℃; for 15h; Inert atmosphere; | 90% |
((1S,2R)-1-benzyl-2,3-dihydroxypropyl)carbamic acid tert-butyl ester
(2R,3S)-3-[N-(tert-butyloxycarbonyl)amino]-1,2-epoxy-4-phenylbutane
Conditions | Yield |
---|---|
With triphenylphosphine; diethylazodicarboxylate In chloroform for 50h; Heating; | 88% |
With triphenylphosphine; diethylazodicarboxylate | 27% |
With triphenylphosphine; diethylazodicarboxylate In chloroform for 36h; Heating; Yield given; |
(2R,3S)-3-[N-(tert-butyloxycarbonyl)amino]-1,2-epoxy-4-phenylbutane
Conditions | Yield |
---|---|
With potassium tert-butylate In tetrahydrofuran; isopropyl alcohol at 17℃; for 1.83333h; | 88% |
C22H29NO6S
(2R,3S)-3-[N-(tert-butyloxycarbonyl)amino]-1,2-epoxy-4-phenylbutane
Conditions | Yield |
---|---|
With potassium hydroxide In methanol at 0℃; for 1h; | 78% |
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IUPAC Name: tert-Butyl N-[(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethyl]carbamate
Synonyms of (2R,3S)-3-(tert-Butoxycarbonyl)amino-1,2-epoxy-4-phenylbutane (CAS NO.98760-08-8): (2R,3S)-3-(N-Boc-amino)-1-oxirane-4-phenylbutane
CAS NO: 98760-08-8
Molecular Formula: C15H21NO3
Molecular Weight: 263.34
Molecular Structure:
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 6
Polar Surface Area: 50.86 Å2
Index of Refraction: 1.533
Molar Refractivity: 73.048 cm3
Molar Volume: 235.468 cm3
Surface Tension: 42.455 dyne/cm
Density: 1.118 g/cm3
Flash Point: 195.01 °C
Enthalpy of Vaporization: 64.947 kJ/mol
Boiling Point: 398.837 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
Appearance: White Crystalline Powder
SMILES: O=C(OC(C)(C)C)N[C@H]([C@H]1OC1)Cc2ccccc2
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-/m0/s1
InChIKey: NVPOUMXZERMIJK-STQMWFEEBJ
Std. 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
Std. InChIKey: NVPOUMXZERMIJK-STQMWFEESA-N
Product Categories of (2R,3S)-3-(tert-Butoxycarbonyl)amino-1,2-epoxy-4-phenylbutane (CAS NO.98760-08-8): Chiral Amino Epoxides;chiral;Aromatics Compounds;Aromatics;Chiral Reagents;Heterocycles
(2R,3S)-3-(tert-Butoxycarbonyl)amino-1,2-epoxy-4-phenylbutane (CAS NO.98760-08-8) is used as atazanavir intermediate.