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168828-90-8

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Basic Information
CAS No.: 168828-90-8
Name: (S)-N-[[3-[3-Fluoro-4-(4-morpholinyl)phenyl]-2-oxo-5-oxazolidinyl]methyl]amine
Article Data: 51
Cas Database
Molecular Structure:
Molecular Structure of 168828-90-8 ((S)-N-[[3-[3-Fluoro-4-(4-morpholinyl)phenyl]-2-oxo-5-oxazolidinyl]methyl]amine)
Formula: C14H18FN3O3
Molecular Weight: 295.314
Synonyms: (S)-N-[[3-[3-Fluoro-4-(4-morpholinyl)phenyl]-2-oxo-5-oxazolidinyl]methyl]amine;
EINECS: 1806241-263-5
Density: 1.32 g/cm3
Boiling Point: 480.02 °C at 760 mmHg
Flash Point: 244.107 °C
PSA: 68.03000
LogP: 1.77650
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(S)-N-[[3-[3-fluoro-4-[4-morpholinyl]phenyl]-2-oxo-5-oxazolidinyl]methyl]amine

Conditions
ConditionsYield
With water; triphenylphosphine In tetrahydrofuran at 70℃;100%
With hydrogen In methanol at 40 - 60℃; under 3750.38 Torr; for 3h; Temperature; Pressure; Reagent/catalyst; Autoclave;98%
With palladium on activated charcoal; hydrogen; acetic acid In methanol for 2h;81%
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(S)-N-[[3-[3-fluoro-4-[4-morpholinyl]phenyl]-2-oxo-5-oxazolidinyl]methyl]amine

Conditions
ConditionsYield
With hydrogenchloride In methanol Reflux;99%
With pyridine; hydroxylamine hydrochloride In ethanol for 48h; Sealed tube;
168828-89-5

2-({(5S)-2-oxo-3-[(4-morpholino-3-fluorophenyl)]-4,5-dihydro-1,3-oxazole-5-yl}methyl)-isoindole-1,3-dione

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(S)-N-[[3-[3-fluoro-4-[4-morpholinyl]phenyl]-2-oxo-5-oxazolidinyl]methyl]amine

Conditions
ConditionsYield
With hydrazine hydrate In ethanol for 4h; Solvent; Reflux;95.4%
With hydrazine hydrate In methanol for 1h; Reflux;90%
With hydrazine hydrate In methanol for 1h; Reflux;71%
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(S)-5-((benzylamino)methyl)-3-(3-fluoro-4-morpholinophenyl)oxazolidin-2-one

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(S)-N-[[3-[3-fluoro-4-[4-morpholinyl]phenyl]-2-oxo-5-oxazolidinyl]methyl]amine

Conditions
ConditionsYield
With hydrogen; acetic acid; 5% Pd(II)/C(eggshell) In methanol at 40℃; under 7355.72 - 8826.87 Torr;95%
With ammonium formate; palladium 10% on activated carbon In methanol at 65℃; for 8h;
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(S)-5-((dibenzylamino)methyl)-3-(3-fluoro-4-morpholino phenyl)-isooxazol-2-one

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(S)-N-[[3-[3-fluoro-4-[4-morpholinyl]phenyl]-2-oxo-5-oxazolidinyl]methyl]amine

Conditions
ConditionsYield
With hydrogen; palladium 10% on activated carbon In acetone at 25℃; under 37503.8 Torr; for 5h; Product distribution / selectivity;93%
With hydrogen; palladium 10% on activated carbon In acetone at 25℃; under 37503.8 Torr; for 5h; Product distribution / selectivity;93%
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(S)-5-((allylamino)methyl)-3-(3-fluoro-4-morpholinophenyl)oxazolidin-2-one

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(S)-N-[[3-[3-fluoro-4-[4-morpholinyl]phenyl]-2-oxo-5-oxazolidinyl]methyl]amine

Conditions
ConditionsYield
Stage #1: (S)-5-((allylamino)methyl)-3-(3-fluoro-4-morpholinophenyl)oxazolidin-2-one With 1,3-dimethylbarbituric acid; palladium diacetate; triphenylphosphine In ethanol at 35℃; for 5h; Inert atmosphere;
Stage #2: With hydrogenchloride In dichloromethane; water pH=1;
Stage #3: With sodium hydroxide In water pH=10;		81%

(R)-[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-5-oxazolidinyl]methyl p-iodobenzenesulfonate

168828-90-8

(S)-N-[[3-[3-fluoro-4-[4-morpholinyl]phenyl]-2-oxo-5-oxazolidinyl]methyl]amine

Conditions
ConditionsYield
With ammonia In methanol at 70℃; under 3750.38 Torr; for 20h;67.7%

(R)-[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-5-oxazolidinyl]methyl p-bromobenzenesulfonate

168828-90-8

(S)-N-[[3-[3-fluoro-4-[4-morpholinyl]phenyl]-2-oxo-5-oxazolidinyl]methyl]amine

Conditions
ConditionsYield
With ammonia In methanol at 80℃; under 4500.45 Torr; for 20h;67.6%

(R)-[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-5-oxazolidinyl]methyl p-fluorobenzenesulfonate

168828-90-8

(S)-N-[[3-[3-fluoro-4-[4-morpholinyl]phenyl]-2-oxo-5-oxazolidinyl]methyl]amine

Conditions
ConditionsYield
With ammonia In methanol at 75℃; under 5250.53 Torr; for 20h;65.8%

(R)-[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-5-oxazolidinyl]methyl p-chlorobenzenesulfonate

168828-90-8

(S)-N-[[3-[3-fluoro-4-[4-morpholinyl]phenyl]-2-oxo-5-oxazolidinyl]methyl]amine

Conditions
ConditionsYield
With ammonia In methanol at 90℃; under 4500.45 Torr; for 20h;65.5%
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  • (S)-5-(Aminomethyl)-3-(3-fluoro-4-morpholinophenyl)oxazolidin-2-one

  • Casno:

    168828-90-8

    (S)-5-(Aminomethyl)-3-(3-fluoro-4-morpholinophenyl)oxazolidin-2-one

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  • (S)-N-[[3-[3-Fluoro-4-(4-Morpholinyl)Phenyl]-2-Oxo-5-Oxazolidinyl]Methyl]Amine

  • Casno:

    168828-90-8

    (S)-N-[[3-[3-Fluoro-4-(4-Morpholinyl)Phenyl]-2-Oxo-5-Oxazolidinyl]Methyl]Amine

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  • (S)-N-[[3-[3-Fluoro-4-[4-morpholinyl]phenyl]-2-oxo-5-oxazolidinyl]methyl]amine

  • Casno:

    168828-90-8

    (S)-N-[[3-[3-Fluoro-4-[4-morpholinyl]phenyl]-2-oxo-5-oxazolidinyl]methyl]amine

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  • Deacetyl Linezolid

  • Casno:

    168828-90-8

    Deacetyl Linezolid

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  • (S)-N-[[3-[3-Fluoro-4-[4-morpholinyl]phenyl]-2-oxo-5-oxazolidinyl]methyl]amine

  • Casno:

    168828-90-8

    (S)-N-[[3-[3-Fluoro-4-[4-morpholinyl]phenyl]-2-oxo-5-oxazolidinyl]methyl]amine

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Specification

The CAS registry number of 2-Oxazolidinone, 5-(aminomethyl)-3-[3-fluoro-4-(4-morpholinyl)phenyl]-,(5S)- is 168828-90-8. The systematic name is (5S)-5-(aminomethyl)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-1,3-oxazolidin-2-one. In addition, the molecular formula is C14H18FN3O3 and the molecular weight is 295.31. What's more, it should be stored in sealed container, and put in a cool and dry place.

Physical properties about 2-Oxazolidinone, 5-(aminomethyl)-3-[3-fluoro-4-(4-morpholinyl)phenyl]-,(5S)- are: (1)ACD/LogP: 0.64; (2)ACD/LogD (pH 5.5): -3; (3)ACD/LogD (pH 7.4): -1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 6; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 68.03 Å2; (12)Index of Refraction: 1.572; (13)Molar Refractivity: 73.614 cm3; (14)Molar Volume: 223.767 cm3; (15)Polarizability: 29.183 ×10-24cm3; (16)Surface Tension: 50.656 dyne/cm; (17)Density: 1.32 g/cm3; (18)Flash Point: 244.107 °C; (19)Enthalpy of Vaporization: 74.444 kJ/mol; (20)Boiling Point: 480.02 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1O[C@@H](CN)CN1c3cc(F)c(N2CCOCC2)cc3
(2)InChI: InChI=1/C14H18FN3O3/c15-12-7-10(18-9-11(8-16)21-14(18)19)1-2-13(12)17-3-5-20-6-4-17/h1-2,7,11H,3-6,8-9,16H2/t11-/m0/s1
(3)InChIKey: VXIWZOWWQMRVRF-NSHDSACABS