(S)-4-(4-(5-(Aminomethyl)-2-oxooxazolidin-3-YL)phenyl)morpholin-3-one

Base Information

• Chemical Name: (S)-4-(4-(5-(Aminomethyl)-2-oxooxazolidin-3-YL)phenyl)morpholin-3-one
• CAS No.: 446292-10-0
• Molecular Formula: C14H17N3O4
• Molecular Weight: 291.307
• Hs Code.: 2934999090
• European Community (EC) Number: 692-970-2
• UNII: JZ8PKP6CTZ
• ChEMBL ID: CHEMBL3671238
• DSSTox Substance ID: DTXSID40463130
• Wikidata: Q72439788
• Mol file: 446292-10-0.mol

Synonyms:446292-10-0;(S)-4-(4-(5-(AMINOMETHYL)-2-OXOOXAZOLIDIN-3-YL)PHENYL)MORPHOLIN-3-ONE;JZ8PKP6CTZ;3-Morpholinone, 4-[4-[(5S)-5-(aminomethyl)-2-oxo-3-oxazolidinyl]phenyl]-;4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one;4-{4-[(5S)-5-(Aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}morpholin-3-one;Rivaroxaban aminomethyl impurity;4-[4-[(5S)-5-(Aminomethyl)-2-oxo-3-oxazolidinyl]phenyl]-3-morpholinone;Des(5-chloro-2-carboxythienyl) Rivaroxaban;4-(4-((5S)-5-(Aminomethyl)-2-oxo-3-oxazolidinyl)phenyl)-3-morpholinone;3-Morpholinone, 4-(4-((5S)-5-(aminomethyl)-2-oxo-3-oxazolidinyl)phenyl)-;DEXXSYVEWAYIGZ-LBPRGKRZSA-N;UNII-JZ8PKP6CTZ;Rivaroxaban metabolite M15;SCHEMBL87178;BDBM7941;CHEMBL3671238;DTXSID40463130;AMY18506;CS-M0391;MFCD11977666;AKOS015999579;DS-14628;EN300-269330;A846748;US8822458, 151;(S)-4-(4-(5-(aminomethyl)-2-oxo-oxazolidin-3-yl)phenyl)morpholin-3-one;(S)-4-(4-(5-(Aminomethyl)-2-oxooxazolidin-3-yl)phenyl)morph olin-3-one;(S)-4-[4-(5-aminomethyl-2-oxo-oxazolidine-3-yl)phenyl]morpholin-3-one;4-[4-((S)-5-aminomethyl-2-oxooxazolidin-3-yl)phenyl]morpholin-3-one;4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholine-3-one;4-{4-[(5S)-5-(amino methyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}morpholin-3-one;4-{4-[(5S)-5-(aminomethyl)-2-oxo-1, 3-oxazolidin-3-yl] phenyl} morpholin-3-one;4-{4-[(5S)-5-(Aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}-3-morpholinone;4-{4-[(5S)-5-aminomethyl-2-oxo-1,3-oxazolidine-3-yl]-phenyl}-morpholine-3-one;4-{4-[5(S)-(amino methyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}morpholin-3-one

Chemical Property of (S)-4-(4-(5-(Aminomethyl)-2-oxooxazolidin-3-YL)phenyl)morpholin-3-one

Chemical Property:

• Appearance/Colour: White solid
• Vapor Pressure: 1.83E-13mmHg at 25°C
• Melting Point: 148.3-149.8 °C
• Refractive Index: 1.598
• Boiling Point: 580.4 °C at 760 mmHg
• PKA: 8.96±0.29(Predicted)
• Flash Point: 304.8 °C
• PSA: 85.10000
• Density: 1.348 g/cm³
• LogP: 1.16400
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 291.12190603
• Heavy Atom Count: 21
• Complexity: 409

Purity/Quality:

99% up, ^*data from raw suppliers

(S)-4-(4-(5-(Aminomethyl)-2-oxooxazolidin-3-yl)phenyl)morpholin-3-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCC(=O)N1C2=CC=C(C=C2)N3CC(OC3=O)CN
• Isomeric SMILES: C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)CN

Technology Process of (S)-4-(4-(5-(Aminomethyl)-2-oxooxazolidin-3-YL)phenyl)morpholin-3-one

There total 55 articles about (S)-4-(4-(5-(Aminomethyl)-2-oxooxazolidin-3-YL)phenyl)morpholin-3-one which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.7%

4-{4-[(S)-5-[(((4-chlorophenyl)methylene)amino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl}-morpholin-3-one (1414932-72-1) → 4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholine-3-one (446292-10-0,1411775-06-8)

Guidance literature:

With isobutylamine; In toluene; for 3h; Product distribution / selectivity; Reflux;

Reference yield: 96.7%

4-{4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidine-3-yl]phenyl}morpholin-3-one hydrochloride (898543-06-1) → 4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholine-3-one (446292-10-0,1411775-06-8)

Guidance literature:

In dichloromethane; water; pH=8; Concentration;

Reference yield: 92.2%

2-((2S)-2-hydroxy-3-{[4-(3-oxomorpholin-4-yl)phenyl]amino}propyl)-1H-isoindole-1,3(2H)-dione (446292-07-5) + methylamine (74-89-5) → 4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholine-3-one (446292-10-0,1411775-06-8)

Guidance literature:

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;

methylamine; In ethanol; water; for 8h; Reflux;

upstream raw materials:

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

2-((2S)-2-hydroxy-3-{[4-(3-oxomorpholin-4-yl)phenyl]amino}propyl)-1H-isoindole-1,3(2H)-dione

4-(4-aminophenyl)morpholin-3-one

2-Anilinoethanol

Downstream raw materials:

Rivaroxaban

N,N'-bis[{(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl]urea

N,N'-bis[{(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl]benzene-1,2-diamide

5-chloro-N-formyl-N-({(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)thiophene-2-carboxamide

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