ChemicalBook--->CAS DataBase List--->168828-82-8

168828-82-8

168828-82-8 Structure

168828-82-8 Structure
IdentificationMore
[Name]

(5R)-3-(3-Fluoro-4-(4-morpholinyl)phenyl)-5-hydroxymethyl-2-oxazolidione
[CAS]

168828-82-8
[Synonyms]

(5R)-3-[3-FLUORO-4-(4-MORPHOLINYL)PHENYL]-5-(HYDROXYMETHYL)-2-OXAZOLIDINONE
(R)-3-(3-FLUORO-4-MORPHOLINOPHENYL)-5-(HYDROXYMETHYL)OXAZOLIDIN-2-ONE
R-N-(3-FLUORO-4-MORPHOLINYLPHENYL)-2-OXO-5-OXAZOLIDINYLMETHANOL
2-Oxazolidinone, 3-[3-fluoro-4-(4-morpholinyl)phenyl]-5-(hydroxymethyl)-, (5R)-
3-(3-FLUORO-4-(4-MORPHOLINYL)PHENYL)-5-HYDROXYMETHYL-(5R)-2-OXAZOLIDIONE
2-Oxazolidinone,3-[3-fluoro-4-(4-morpholinyl)phen
R)-5-(Hydroxymethyl)-3-(3-fluoro-4-morpholinopheny
(5R)-3-[3-Fluoro-4-(4-morpholinyl)phenyl]-5-(hydroxymethyl)-2-oxazolindinone
(5R)-3-(3-FLUORO-4-(4-MORPHOLINYL)PHENYL)-5-HYDROXYMETHYL-2-OXAZOLIDIONE
R-N-[[3-[3-FLUORO-4-MORPHOLINYL]PHENYL]-2-OXO-5-OXAZOLIDINYL]METHANOL
[EINECS(EC#)]

688-342-2
[Molecular Formula]

C14H15FN2O5
[MDL Number]

MFCD06658241
[Molecular Weight]

310.28
[MOL File]

168828-82-8.mol
Chemical PropertiesBack Directory
[Melting point ]

110-112 °C
[Boiling point ]

494.2±45.0 °C(Predicted)
[density ]

1.361±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

14.05±0.10(Predicted)
[color ]

White to Pale Red
[Optical Rotation]

-56.8447°(C=0.805g/100ml CHCL3)
[CAS DataBase Reference]

168828-82-8(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H332-H335
[Precautionary statements ]

P261-P280-P305+P351+P338
Hazard InformationBack Directory
[Uses]

[(R)-3-(3-Fluoro-4-morpholinophenyl)-2-oxo-5-oxazolidinyl]methanol is an intermediate in the synthesis of Linezolid Dimer (L466520), an impurity of the antibacterial agent Linezolid (L466500).
[Synthesis]

(R)-Glycidyl butyrate

60456-26-0

N-BENZYLOXYCARBONYL-3-FLUORO-4-MORPHOLINOANILINE

168828-81-7

(5R)-3-(3-Fluoro-4-(4-morpholinyl)phenyl)-5-hydroxymethyl-2-oxazolidione

168828-82-8

GENERAL STEPS: Example 3: Preparation of (R)-3-[3-fluoro-4-(4-morpholinophenyl)]-5-hydroxymethyl-2-oxazolidinone [131] To a mixed solution of n-butanol (51.5 g) and THF (100 ml) was added slowly at 20-30°C under nitrogen protection n-butyllithium (1.6 M in hexanes, 391.7 g), keeping the reaction temperature at 10-20°C. The process was continued for 45-60 minutes. In another reactor, N-carboxyphenylmethoxy-3-fluoro-4-morpholino aniline (100 g) was dissolved in THF (500 ml) under nitrogen protection and stirred at 20-30 °C. Subsequently, the mixture was cooled to -15 to -5°C, and the n-butyllithium solution prepared as described previously was slowly added, maintaining the temperature at -15 to -5°C for 45-60 minutes of reaction. Then, (R)-(-)-glycidyl butyrate (48.0 g) was slowly added to this solution and kept at -10 to -5°C for 1 hour. After the addition was completed, the reaction temperature was raised to 8-13°C maintained at 8-13°C for 1 hr, and then raised to 13-15°C for 4-5 hrs of reaction. After completion of the reaction, water (800 ml) and ethyl acetate (300 ml) were added for layering. The organic layer was washed with ethyl acetate-hexane mixture and the solid was dried in an air pan drier at 55-60 °C. Yield: 0.765 g in 85% yield. [132]

[References]

[1] Synthetic Communications, 2010, vol. 40, # 6, p. 789 - 798
[2] Patent: WO2011/77310, 2011, A1. Location in patent: Page/Page column 12
[3] Organic Syntheses, 2005, vol. 81, p. 112 - 120
[4] Patent: WO2013/111048, 2013, A1. Location in patent: Page/Page column 19; 20
[5] Patent: US2015/25236, 2015, A1. Location in patent: Paragraph 0131; 0132
Spectrum DetailBack Directory
[Spectrum Detail]

(5R)-3-(3-Fluoro-4-(4-morpholinyl)phenyl)-5-hydroxymethyl-2-oxazolidione(168828-82-8)1HNMR
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