CAS No.446292-10-0,3-MORPHOLINONE, 4-[4-[(5S)-5-(AMINOMETHYL)-2-OXO-3-OXAZOLIDINYL]PHENYL]- Suppliers

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Basic Information

Molecular Structure:
CAS No.:	446292-10-0
Name:	3-MORPHOLINONE, 4-[4-[(5S)-5-(AMINOMETHYL)-2-OXO-3-OXAZOLIDINYL]PHENYL]-
Article Data:	39

Formula:	C₁₄H₁₇N₃O₄
Molecular Weight:	291.307
Synonyms:	(S)-4-(4-(5-(Aminomethyl)-2-oxooxazolidin-3-yl)phenyl)morpholin-3-one;
EINECS:	692-970-2
Density:	1.348 g/cm³
Melting Point:	148.3-149.8 °C
Boiling Point:	580.4 °C at 760 mmHg
Flash Point:	304.8 °C
Appearance:	White solid
PSA:	85.10000
LogP:	1.16400

Synthetic route

: 1372665-04-7
4-{4-[(5S)-5-((dibenzylamino)methyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}morpholin-3-one

: 446292-10-0
4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholine-3-one

Conditions

Conditions	Yield
With palladium on activated charcoal; hydrogen In methanol at 40 - 50℃; under 37503.8 Torr; for 20h; Solvent; Reagent/catalyst;	100%
With palladium 10% on activated carbon; hydrogen In ethyl acetate at 50℃; for 18h; Inert atmosphere;	92.6%
With palladium 10% on activated carbon; hydrogen; acetic acid In methanol at 50℃; under 4200.42 Torr;	2.56 g

: 1414932-72-1
4-{4-[(S)-5-[(((4-chlorophenyl)methylene)amino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl}-morpholin-3-one

: 446292-10-0
4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholine-3-one

Conditions

Conditions	Yield
With isobutylamine In toluene for 3h; Product distribution / selectivity; Reflux;	99.7%
With isobutylamine In toluene for 3h; Concentration; Solvent; Time; Temperature; Reagent/catalyst; Heating; Reflux;	99.7%
With hydrogenchloride; triethylamine In ethanol; water at 22 - 65℃; for 1h;	95%
With hydrogenchloride In water for 0.333333h; Time;

: 898543-06-1
4-{4-[(5S)-5-(amino methyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}morpholin-3-one hydrochloride

: 446292-10-0
4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholine-3-one

Conditions

Conditions	Yield
In dichloromethane; water pH=8; Concentration;	96.7%
With potassium carbonate In methanol at 25 - 30℃; for 0.5h;	56%
With potassium carbonate In methanol at 25 - 30℃; for 0.5h;	56%
With potassium carbonate In water at 20℃; for 2h;

: 446292-08-6
2-({(5S)-2-oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-1,3-oxazolidin-5-yl}methyl)-1H-isoindole-1,3(2H)-dione

: 446292-10-0
4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholine-3-one

Conditions

Conditions	Yield
With hydrazine hydrate In methanol at 80℃; for 2.5h;	96.1%
With ethanolamine In toluene at 75 - 85℃; for 2h; Solvent; Temperature;	95.87%
With hydrazine hydrate In ethanol for 2h; Reflux;	95.4%

: 1349248-79-8
4-{4-[(5R)-5-(azidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}-morpholin-3-one

: 446292-10-0
4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholine-3-one

Conditions

Conditions	Yield
With 5%-palladium/activated carbon; hydrogen In ethanol at 40℃; for 24h;	96%
With 5%-palladium/activated carbon; hydrogen In ethyl acetate for 12h;	91%
With palladium 10% on activated carbon; hydrogen In methanol under 1500.15 - 3000.3 Torr; for 4h;	90.9%
With 5%-palladium/activated carbon; hydrogen In ethyl acetate at 45℃; under 3750.38 - 6000.6 Torr; for 8h; Autoclave;	80%
With water; triphenylphosphine In tetrahydrofuran at 10 - 65℃;	18 g

: 446292-07-5
2-((2R)-2-hydroxy-3-{[4-(3-oxo-4-morpholinyl)phenyl]amino}propyl)-1H-isoindole-1,3(2H)-dione

: 74-89-5
methylamine

: 446292-10-0
4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholine-3-one

Conditions

Conditions	Yield
Stage #1: 2-((2S)-2-hydroxy-3-{[4-(3-oxomorpholin-4-yl)phenyl]amino}propyl)-1H-isoindole-1,3(2H)-dione With dmap; 1,1'-carbonyldiimidazole In tetrahydrofuran for 12h; Reflux; Stage #2: methylamine In ethanol; water for 8h; Reflux;	92.2%

: 1416129-92-4
tert-butyl {(5S)-3-[4-(3-oxo-4-morpholinyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methylcarbamate

: 446292-10-0
4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholine-3-one

Conditions

Conditions	Yield
With hydrogenchloride; water In ethanol at 20℃; for 24h; Solvent;	90%
With hydrogenchloride In ethanol; water at 20℃; for 24h; Solvent;	90%

: 1414932-73-2
(S)-4-(4-{5-[(benzylidene-amino)-methyl]-2-oxo-oxazolidine-3-yl}-phenyl)-morpholin-3-one

: 446292-10-0
4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholine-3-one

Conditions

Conditions	Yield
With hydrogenchloride; water In ethanol at 20℃; for 24h; Solvent;	90%
With hydrogenchloride In ethanol; water at 20℃; for 24h; Solvent; Time;	90%

: C14H14N2O5

: 446292-10-0
4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholine-3-one

Conditions

Conditions	Yield
Stage #1: C14H14N2O5 With ammonium hydroxide In methanol for 0.5h; Stage #2: With methanol; sodium tetrahydroborate at 0 - 20℃; for 2.5h;	87.5%

: 446292-08-6
2-({(5S)-2-oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-1,3-oxazolidin-5-yl}methyl)-1H-isoindole-1,3(2H)-dione

: 74-89-5
methylamine

: 446292-10-0
4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholine-3-one

Conditions

Conditions	Yield
In methanol; water for 2h; Reflux;	85%

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Specification

The 3-Morpholinone,4-[4-[(5S)-5-(aminomethyl)-2-oxo-3-oxazolidinyl]phenyl]-, with the CAS registry number 446292-10-0, is also known as (S)-4-(4-(5-(Aminomethyl)-2-oxooxazolidin-3-yl)phenyl)morpholin-3-one. This chemical's molecular formula is C₁₄H₁₇N₃O₄ and molecular weight is 291.30. Its systematic name is called 4-{4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}morpholin-3-one.

Physical properties of 3-Morpholinone,4-[4-[(5S)-5-(aminomethyl)-2-oxo-3-oxazolidinyl]phenyl]-: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 7; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 4; (8)Index of Refraction: 1.598; (9)Molar Refractivity: 73.75 cm³; (10)Molar Volume: 216 cm³; (11)Surface Tension: 57.4 dyne/cm; (12)Density: 1.348 g/cm³; (13)Flash Point: 304.8 °C; (14)Enthalpy of Vaporization: 86.82 kJ/mol; (15)Boiling Point: 580.4 °C at 760 mmHg; (16)Vapour Pressure: 1.83E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1O[C@@H](CN)CN1c3ccc(N2C(=O)COCC2)cc3
(2)InChI: InChI=1/C14H17N3O4/c15-7-12-8-17(14(19)21-12)11-3-1-10(2-4-11)16-5-6-20-9-13(16)18/h1-4,12H,5-9,15H2/t12-/m0/s1
(3)InChIKey: DEXXSYVEWAYIGZ-LBPRGKRZBF