| Identification | Back Directory | [Name]
(S)-4-(4-(5-(Aminomethyl)-2-oxooxazolidin-3-yl)phenyl)morpholin-3-one.HCl | [CAS]
898543-06-1 | [Synonyms]
Rivaroxaban Impurity 35
Rivaroxaban Impurity 7-2
Rivaroxaban interMediate A
4-{4-[(5S)-5-aMinoMethyl)-2-oxo-1,3-oxazolidin-3-yl}Morpholin-3-one
(S)-4-(4-(5-(Aminomethyl)-2-oxoxazolidin-3-yl)phenyl)morpholin-3-one.HCl
(S)-4-(4-(5-(Aminomethyl)-2-oxooxazolidin-3-yl)phenyl)morpholin-3-one.HCl
4-(4-(5-(Aminomethyl)-2-oxooxazolidin-3-yl)phenyl)morpholin-3-one hydrochloride
(S)-4-(4-(5-(aMinoMethyl)-2-oxooxazolidin-3-yl)phenyl)Morpholin-3-one hydrochloride
4-{4-[(5S)-5-aMinoMethyl)-2-oxo-1,3-oxazolidin-3-yl} Mor-pholin -3-one hydrochloride
4-[4-[(5S)-5-(Aminomethyl)-2-oxo-3-oxazolidinyl]phenyl]-3-morpholinone hydrochloride
3-Morpholinone, 4-[4-[(5S)-5-(aMinoMethyl)-2-oxo-3-oxazolidinyl]phenyl]-, hydrochloride
2-[(2R)-2-Hydroxy-3-[[4-(3-oxo-4-morpholinyl)phenyl]amino]propyl]-1H-isoindole-1,3(2H)-
4-[4-[(5S)-5-(Aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one hydrochloride
3-Morpholinone, 4-[4-[(5S)-5-(aminomethyl)-2-oxo-3-oxazolidinyl]phenyl]-, hydrochloride (1:1) | [EINECS(EC#)]
1806241-263-5 | [Molecular Formula]
C14H17N3O4.HCl | [MDL Number]
MFCD20133901 | [MOL File]
898543-06-1.mol | [Molecular Weight]
328 |
| Chemical Properties | Back Directory | [Melting point ]
>276°C (dec.) | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
DMSO (Slightly), Water (Slightly) | [form ]
Solid | [pka]
8.96[at 20 ℃] | [color ]
White to Off-White | [Water Solubility ]
184.9g/L at 20℃ | [Major Application]
pharmaceutical small molecule | [InChI]
InChI=1/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-;/s3 | [InChIKey]
ITMQDYQHNKXERQ-ZLBVLXFENA-N | [SMILES]
O=C1O[C@@H](CN)CN1C1C=CC(N2CCOCC2=O)=CC=1.Cl |&1:3,r| | [LogP]
-0.1 at 25℃ |
| Hazard Information | Back Directory | [Chemical Properties]
(S)-4-(4-(5-(Aminomethyl)-2-oxooxazolidin-3-yl)phenyl)morpholin-3-one.HCl is stable under recommended storage conditions, it can react with acids, acid chlorides, acid anhydrides, oxidizing agents.
| [Uses]
Rivaroxaban intermediate. | [Flammability and Explosibility]
Nonflammable | [Synthesis]
The general procedure for the synthesis of (S)-4-(4-(5-(aminomethyl)-2-oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-5-oxazolidinyl]methyl]-1H-isoindole-1,3(2H)-dione from 2-[[(5S)-2-oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-5-oxazolidinyl]methyl]-1H-isoindole-1,3(2H)-dione was carried out in the following steps: in a four-necked round-bottomed flask. Methanol (2900 mL), 2-[[(5S)-2-oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-5-oxazolidinyl]methyl]-1H-isoindole-1,3(2H)-dione (290 g), and 40% aqueous methylamine solution (265 g) were added. The reaction mixture was stirred at 25 to 30 °C for 1 hour, then heated to 60 to 65 °C and maintained at that temperature for 4 hours. Upon completion of the reaction, the mixture was cooled to 25 to 30 °C, concentrated hydrochloric acid (290 mL, adjusted pH to 1-2) was added and stirring was continued for 30 minutes. The resulting solid was collected by filtration and washed with cold methanol (290 mL). The yield was 92.0%. | [References]
[1] Patent: WO2014/102820, 2014, A2. Location in patent: Paragraph 059
[2] Patent: CN105085371, 2017, B. Location in patent: Paragraph 0102-0104
[3] Patent: CN105085431, 2017, B. Location in patent: Paragraph 0093; 0094; 0095; 0096; 0097; 0098; 0099
[4] Patent: WO2012/35057, 2012, A2. Location in patent: Page/Page column 29
[5] Patent: WO2013/121436, 2013, A2. Location in patent: Page/Page column 27 |
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