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4-[4-[(5S)-5-(Aminomethyl)-2-oxo-3-oxazolidinyl]phenyl]-3-morpholinone hydrochloride
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Name

4-[4-[(5S)-5-(Aminomethyl)-2-oxo-3-oxazolidinyl]phenyl]-3-morpholinone hydrochloride

 EINECS 618-311-0
CAS No. 898543-06-1 Density N/A
PSA 85.10000 LogP 1.96600
Solubility 184.9g/L at 20℃ Melting Point 250
Formula C14H17N3O4.HCl Boiling Point 593.9 °C at 760 mmHg
Molecular Weight 327.768 Flash Point 313 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 898543-06-1 ((S)-4-(4-(5-(Aminomethyl)-2-oxooxazolidin-3-yl)phenyl)morpholin-3-one.HCl) Hazard Symbols N/A
Synonyms

4-[4-[(5S)-5-(Aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one hydrochloride;(S)-4-(4-(5-(Aminomethyl)-2-oxooxazolidin-3-yl)phenyl)morpholin-3-one hydrochloride;3-Morpholinone, 4-[4-[(5S)-5-(aminomethyl)-2-oxo-3-oxazolidinyl]phenyl]-, monohydrochloride (9CI);

Article Data 20

4-[4-[(5S)-5-(Aminomethyl)-2-oxo-3-oxazolidinyl]phenyl]-3-morpholinone hydrochloride Synthetic route

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

898543-06-1

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

Conditions
ConditionsYield
Stage #1: 2-({(5S)-2-oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-1,3-oxazolidin-5-yl}methyl)-1H-isoindole-1,3(2H)-dione With methylamine In N,N-dimethyl-formamide at 60 - 65℃; for 5h;
Stage #2: With hydrogenchloride In water; N,N-dimethyl-formamide at 40℃; Temperature; Solvent;		96%
Stage #1: 2-({(5S)-2-oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-1,3-oxazolidin-5-yl}methyl)-1H-isoindole-1,3(2H)-dione With methylamine In methanol; water at 25 - 65℃; for 5h;
Stage #2: With hydrogenchloride In methanol; water at 25 - 30℃; for 0.5h; pH=1 - 2; Temperature;		92%
Stage #1: 2-({(5S)-2-oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-1,3-oxazolidin-5-yl}methyl)-1H-isoindole-1,3(2H)-dione With methylamine In ethanol; water at 40 - 60℃; for 8h;
Stage #2: With hydrogenchloride In water at 15℃; for 2h;		89.7%
1414932-73-2

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

898543-06-1

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

Conditions
ConditionsYield
With hydrogenchloride In water at 0 - 15℃; for 0.75h; pH=2; Temperature; pH-value;92.4%
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

898543-06-1

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

Conditions
ConditionsYield
Stage #1: 2-({(5S)-2-oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-1,3-oxazolidin-5-yl}methyl)-1H-isoindole-1,3(2H)-dione; methylamine In ethanol for 1h; Reflux; Large scale;
Stage #2: With hydrogenchloride In ethanol at 50 - 60℃; pH=2 - Ca. 3; Large scale;		90.3%
1372665-04-7

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

898543-06-1

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

Conditions
ConditionsYield
Stage #1: 4-{4-[(5S)-5-((dibenzylamino)methyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}morpholin-3-one With palladium 10% on activated carbon; hydrogen In methanol at 40℃; for 6h;
Stage #2: With hydrogenchloride In methanol for 4h; Reagent/catalyst;		90.2%
446292-07-5

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

530-62-1

1,1'-carbonyldiimidazole

898543-06-1

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

Conditions
ConditionsYield
Stage #1: 2-((2S)-2-hydroxy-3-{[4-(3-oxomorpholin-4-yl)phenyl]amino}propyl)-1H-isoindole-1,3(2H)-dione; 1,1'-carbonyldiimidazole With dmap In tetrahydrofuran for 12h; Reflux;
Stage #2: With hydrogenchloride In water at 20℃; Concentration;		89.1%

C18H23N3O6

898543-06-1

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

Conditions
ConditionsYield
With hydrogenchloride In ethanol at 55℃; for 2h;85%
1403383-55-0

(S)-4-(4-((3-amino-2-hydroxypropyl)amino)phenyl)morpholin-3-one hydrochloride

530-62-1

1,1'-carbonyldiimidazole

898543-06-1

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

Conditions
ConditionsYield
Stage #1: (S)-4-(4-((3-amino-2-hydroxypropyl)amino)phenyl)morpholin-3-one hydrochloride With potassium carbonate In 4-methyl-2-pentanone at 4℃; Inert atmosphere; Reflux;
Stage #2: 1,1'-carbonyldiimidazole In 4-methyl-2-pentanone at 20℃; for 15h;
Stage #3: With hydrogenchloride In water; 4-methyl-2-pentanone		80.1%
1403383-52-7

1-{(R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]oxazolidin-5-ylmethyl}-3;5,7-triaza-1-azoniatricyclo[3.3.1.1(3,7)]decane iodide

898543-06-1

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

Conditions
ConditionsYield
With hydrogenchloride; water In ethanol at 50℃; for 2h; Inert atmosphere;33.1%
1252018-10-2

4-[4-(N-(3-chloro-(2R)-2-hydroxy-1-propyl)amino)phenyl]morpholin-3-one

898543-06-1

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

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: ammonia / water / 4 h / 20 °C
2.1: potassium carbonate / 4-methyl-2-pentanone / 4 °C / Inert atmosphere; Reflux
2.2: 15 h / 20 °C
View Scheme
Multi-step reaction with 4 steps
1: acetonitrile / 3 h / 20 °C / Inert atmosphere
2: sodium iodide / sulfolane / 20 h / 110 °C
3: sulfolane / 72 h / 50 °C / Inert atmosphere
4: hydrogenchloride; water / ethanol / 2 h / 50 °C / Inert atmosphere
View Scheme
Multi-step reaction with 3 steps
1: N,N-dimethyl-formamide / 2 h / 100 °C
2: potassium carbonate / ethanol / 2 h / 60 °C
3: hydrogenchloride / ethanol / 2 h / 55 °C
View Scheme
Multi-step reaction with 2 steps
1.1: methanol / 10 h / Reflux
2.1: dmap / tetrahydrofuran / 12 h / Reflux
2.2: 20 °C
View Scheme
1252018-28-2

4-{4-[(5R)-5-(chloromethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}morpholin-3-one

898543-06-1

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

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: sodium iodide / sulfolane / 20 h / 110 °C
2: sulfolane / 72 h / 50 °C / Inert atmosphere
3: hydrogenchloride; water / ethanol / 2 h / 50 °C / Inert atmosphere
View Scheme

4-[4-[(5S)-5-(Aminomethyl)-2-oxo-3-oxazolidinyl]phenyl]-3-morpholinone hydrochloride Specification

The 4-[4-[(5S)-5-(Aminomethyl)-2-oxo-3-oxazolidinyl]phenyl]-3-morpholinone hydrochloride, with the CAS registry number 898543-06-1, is also known as (S)-4-(4-(5-(Aminomethyl)-2-oxooxazolidin-3-yl)phenyl)morpholin-3-one hydrochloride. It belongs to the product category of Intermediates. This chemical's molecular formula is C14H17N3O4.HCl and molecular weight is 327.77. What's more, its systematic name is 4-{4-[(5S)-5-(Aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}-3-morpholinone hydrochloride (1:1).

Physical properties of 4-[4-[(5S)-5-(Aminomethyl)-2-oxo-3-oxazolidinyl]phenyl]-3-morpholinone hydrochloride are: (1)ACD/BCF (pH 5.5): 1.00; (2)ACD/BCF (pH 7.4): 1.00; (3)ACD/KOC (pH 5.5): 1.00; (4)ACD/KOC (pH 7.4): 1.00; (5)#H bond acceptors: 7; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 62.32 Å2; (9)Flash Point: 313 °C; (10)Enthalpy of Vaporization: 90.17 kJ/mol; (11)Boiling Point: 593.9 °C at 760 mmHg; (12)Vapour Pressure: 2.18E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=C1O[C@@H](CN)CN1c3ccc(N2C(=O)COCC2)cc3
(2)Std. InChI: InChI=1S/C14H17N3O4.ClH/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;1H/t12-;/m0./s1
(3)Std. InChIKey: ITMQDYQHNKXERQ-YDALLXLXSA-N

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