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162536-40-5

162536-40-5 Structure

162536-40-5 Structure
IdentificationBack Directory
[Name]

(2R,3S)-3-(tert-Butoxycarbonylamino)-1-chloro-2-hydroxy-4-phenylbutane
[CAS]

162536-40-5
[Synonyms]

tert-Butyl ((2S,3R)-4-chloro-3-hydroxy-1-phenylbutan-2-yl)carbaMate
tert-butyl N-[(2S,3R)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]carbamate
(2R,3S)-3-(tert-Butoxycarbonylamino)-1-chloro-2-hydroxy-4-phenylbutane
(2R,3S)-N-tert-Butoxycarbonyl-3-amino-1-chloro-2-hydroxy-4-phenylbutane
(2R,3S)-1-Chloro-2-hydroxy-3-N-(tert-butoxycarbonyl)amino-4-phenylbutane
N-[(1S,2R)-3-Chloro-2-hydroxy-1-(phenylmethyl)propyl]carbamic acid tert-butyl ester
Carbamic acid, N-[(1S,2R)-3-chloro-2-hydroxy-1-(phenylmethyl)propyl]-, 1,1-dimethylethyl ester
[EINECS(EC#)]

923-366-1
[Molecular Formula]

C15H22ClNO3
[MOL File]

162536-40-5.mol
[Molecular Weight]

299.79
Chemical PropertiesBack Directory
[Melting point ]

83-84℃
[Boiling point ]

460.5±45.0 °C(Predicted)
[density ]

1.153
[storage temp. ]

Sealed in dry,2-8°C
[pka]

11.92±0.46(Predicted)
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Hazard InformationBack Directory
[Synthesis]

(3S)-3-(tert-Butoxycarbonyl)amino-1-chloro-4-phenyl-2-butanone

102123-74-0

(1S, 2S)-(1-BENZYL-3-CHLORO-2-HYDROXY-PROPYL)-CARBAMIC ACID TERT-BUTYL ESTER

165727-45-7

(2R,3S)-3-(tert-Butoxycarbonylamino)-1-chloro-2-hydroxy-4-phenylbutane

162536-40-5

The synthesis of tert-butyl (1S,2S)-(1-benzyl-3-chloro-2-hydroxypropyl)carbamate and (2R,3S)-3-tert-butoxycarbonyl-1-chloro-2-hydroxy-4-phenylbutane was carried out via ruthenium-catalyzed asymmetric hydrogenation using (3S)-3-(tert-butoxycarbonyl)amino-1-chloro-4-phenyl-2-butanone as the starting material. The experiments were catalyzed using different ruthenium ligands under the following reaction conditions: substrate 1 mmol, substrate to catalyst ratio (S/C) of 100:1, solvent 4 mL methanol, and reaction time 20 h (not optimized). The reaction temperature and pressure were adjusted according to the catalyst type, and the results are shown in Table 1.Entry 1 used Ru(S-Xyl-P-Phos)(acac) as the catalyst and was reacted at 50 °C and 1 bar pressure, resulting in a conversion of 51%, with the major product in the (2R,3S)-configuration, and an enantiomeric excess (de) of 82%.Entry 2 used Ru(SP -Phos)Cl2(dmf) as a catalyst at 65 °C and 20 bar pressure resulted in 89% conversion with the same (2R,3S)-configuration as the major product and an enantiomeric excess (de) of 79%.

[References]

[1] Journal of Medicinal Chemistry, 1994, vol. 37, # 12, p. 1758 - 1768
[2] Journal of Medicinal Chemistry, 1994, vol. 37, # 12, p. 1758 - 1768
[3] Journal of Organic Chemistry, 2004, vol. 69, # 21, p. 7344 - 7347
[4] Journal of Organic Chemistry, 2004, vol. 69, # 21, p. 7391 - 7394
[5] Journal of Organic Chemistry, 2004, vol. 69, # 21, p. 7391 - 7394
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