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16597-50-5

16597-50-5 Structure

16597-50-5 Structure
IdentificationMore
[Name]

Cbz-L-Threonine benzyl ester
[CAS]

16597-50-5
[Synonyms]

BENZYLOXYCARBONYL-L-THREONINE BENZYL ESTER
CBZ-L-THR BENZYL ESTER
CBZ-THR-OBZL
N-ALPHA-CARBOBENZOXY-L-THREONINE BENZYL ESTER
N-BENZYLOXYCARBONYL-L-THREONINE BENZYL ESTER
N-CBZ-L-THREONINE BENZYL ESTER
Z-L-THREONINE ALPHA-BENZYL ESTER
Z-L-THREONINE BENZYL ESTER
Z-THREONINE-OBZL
Z-THR-OBZL
Cbz-L-Threonineα-benzylester
N-alpha-Benzyloxycarbonyl-L-threonine benzyl ester
Z-L-Thr-OBzl
N-Carbobenzoxy-L-threonine Benzyl Ester
[Molecular Formula]

C19H21NO5
[MDL Number]

MFCD00077041
[Molecular Weight]

343.37
[MOL File]

16597-50-5.mol
Chemical PropertiesBack Directory
[Melting point ]

78-82°C
[Boiling point ]

536.8±50.0 °C(Predicted)
[density ]

1.228±0.06 g/cm3(Predicted)
[storage temp. ]

Store at RT.
[solubility ]

Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
[form ]

powder to crystal
[pka]

10.76±0.46(Predicted)
[color ]

White to Almost white
[Optical Rotation]

Consistent with structure
[CAS DataBase Reference]

16597-50-5(CAS DataBase Reference)
Safety DataBack Directory
[Safety Statements ]

24/25
[HS Code ]

29224999
Hazard InformationBack Directory
[Chemical Properties]

White powder
[Synthesis]

N-Cbz-L-Threonine

19728-63-3

Benzyl bromide

100-39-0

L-Allothreonine, N-[(phenylmethoxy)carbonyl]-, phenylmethyl ester

84500-41-4

General procedure for the synthesis of compounds (CAS: 84500-41-4) from (2S,3R)-2-(((benzyloxy)carbonyl)amino)-3-hydroxybutanoic acid and benzyl bromide: (2S,3R)-2- benzyloxycarbonylamino-3-hydroxybutanoic acid (1.0 g, 4.0 mmol) was dissolved in a mixture of N,N-dimethylformamide (DMF, 15.0 mL) and deionized water (5.0 mL) in a mixed solvent, cesium carbonate (644.5 mg, 2.0 mmol) was added, and the reaction was stirred for 30 min at room temperature. After the reaction was completed, the reaction solution was concentrated and the residual water was removed by azeotropy with toluene (3 × 10 mL). Subsequently, a solution of benzyl bromide (0.71 mL, 5.9 mmol) in DMF (10.0 mL) was added to the dried residue and the reaction was continued for 24 hours. At the end of the reaction, the reaction was quenched by the addition of water (15 mL) and extracted with ethyl acetate (2 x 30 mL). The organic phases were combined, dried over anhydrous sodium sulfate, filtered and concentrated. The crude product was purified by fast column chromatography with ethyl acetate/hexane (1:3, v/v) as eluent to give the target compound (1.149 g, 84% yield) as a white powder. The structure of the product was confirmed by 1H NMR (400 MHz, CDCl3), 13C NMR (125 MHz, CDCl3) and LC-ESI-MS: 1H NMR (400 MHz, CDCl3) δ 7.26-6.35 (m, 10H), 5.60 (d, 1H, J = 8.7 Hz), 5.17-5.24 (m, 2H) 5.13 (s, 2H), 4.37-4.39 (m, 2H), 1.97 (br, 1H), 1.63 (br, 1H), 1.23 (d, 1H, J = 6.3 Hz); 13C NMR (125 MHz, CDCl3) δ 171.2, 156.9, 136.2, 135.3, 128.6, 128.5, 128.5 128.5, 128.2, 128.0, 68.0, 67.4, 67.2, 59.5, 19.9; LC-ESI-MS [M + H]+ C19H21NO5 Calculated value 344.14, measured value 344.03.

[References]

[1] Tetrahedron Letters, 1968, p. 6323 - 6326
[2] Tetrahedron, 2018, vol. 74, # 23, p. 2891 - 2903
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

N-Benzyloxycarbonyl-L-threonine benzyl ester, 99%(16597-50-5)
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