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

Base Information

• Chemical Name: (S)-4-(4-(5-(Aminomethyl)-2-oxooxazolidin-3-yl)phenyl)morpholin-3-one hydrochloride
• CAS No.: 898543-06-1
• Molecular Formula: C14H17N3O4^.HCl
• Molecular Weight: 327.768
• Hs Code.: 2934999090
• European Community (EC) Number: 618-311-0
• UNII: R5YC7W3X3C
• DSSTox Substance ID: DTXSID20581225
• Mol file: 898543-06-1.mol

Synonyms:898543-06-1;(S)-4-(4-(5-(Aminomethyl)-2-oxooxazolidin-3-yl)phenyl)morpholin-3-one hydrochloride;4-[4-[(5S)-5-(Aminomethyl)-2-oxo-3-oxazolidinyl]phenyl]-3-morpholinone hydrochloride;(S)-4-(4-(5-(Aminomethyl)-2-oxooxazolidin-3-yl)phenyl)morpholin-3-one HCl;4-[4-[(5S)-5-(Aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one hydrochloride;4-{4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}morpholin-3-one hydrochloride;R-(-)-Methamphetamine-d3 Hydrochloride;4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one;hydrochloride;1329647-30-4;(S)-4-(4-(5-(Aminomethyl)-2-oxooxazolidin-3-yl)phenyl)morpholin-3-one.HCl;4-(4-((5S)-5-(Aminomethyl)-2-oxo-1,3-oxazolidin-3-yl)phenyl)morpholin-3-one hydrochloride;4-(4-((5s)-5-(aminomethyl)-2-oxo-3-oxazolidinyl)phenyl)-3-morpholinone hydrochloride;4-[4-[(5S)-5-(Aminomethyl)-2-oxooxazolidin-3-yl]phenyl]morpholin-3-one Hydrochloride;C14H18ClN3O4;MFCD20133901;ITMQDYQHNKXERQ-YDALLXLXSA-N;3-Morpholinone, 4-[4-[(5S)-5-(aminomethyl)-2-oxo-3-oxazolidinyl]phenyl]-, hydrochloride (1:1);3-Morpholinone, 4-[4-[(5S)-5-(aminomethyl)-2-oxo-3-oxazolidinyl]phenyl]-, monohydrochloride (9CI);EC 618-311-0;R5YC7W3X3C;SCHEMBL792570;DTXSID20581225;(S)-4-[4-[5-(Aminomethyl)-2-oxo-3-oxazolidinyl]phenyl]morpholin-3-one Hydrochloride;CS-M1864;AKOS016001386;AC-25295;AS-19754;AM20090739;EN300-6750772;J-513406;4-{4-[(5S)-5-aminomethyl)-2-oxo-1,3-oxazolidin-3-yl}morpholin-3-one;(S)-4-(4-(5-(Aminomethyl)-2-oxooxazolidin-3-yl)phenyl)morpholin-3-onehydrochloride;(S)-4-{4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}morpholin-3-one hydrochloride;4-((S)-5-aminomethyl-2-oxo-oxazolidin-3-yl)-phenyl-morpholin-3-one hydrochloride;4-[4-[(5S)-5-(Aminomethyl)-2-oxo-3-oxazolidinyl]phenyl]-3-morpholinone hydrochloride salt;4-{4-[(5S)-5-(amino methyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}morpholin-3-one hydrochloride;4-{4-[(5S)-5-(aminomethyl)-2-oxo-1, 3-oxazolidin-3-yl] phenyl} morpholin-3-one hydrochloride;4-{4-[(5S)-5-(Aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}morpholin-3-one--hydrogen chloride (1/1);4-{4-[(5S)-5-aminomethyl-2-oxo-1,3-oxazolidine-3-yl]-phenyl}-morpholine-3-one hydrochloride

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

Chemical Property:

• Melting Point: 250
• Boiling Point: 593.9 °C at 760 mmHg
• PKA: 8.96[at 20 ℃]
• Flash Point: 313 °C
• PSA: 85.10000
• LogP: 1.96600
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: DMSO (Slightly), Water (Slightly)
• Water Solubility.: 184.9g/L at 20℃
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 327.0985838
• Heavy Atom Count: 22
• Complexity: 409

Purity/Quality:

99% ^*data from raw suppliers

4-[4-[(5S)-5-(Aminomethyl)-2-oxo-3-oxazolidinyl]phenyl]-3-morpholinoneHydrochloride ^*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.Cl
• Isomeric SMILES: C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)CN.Cl

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

There total 29 articles about (S)-4-(4-(5-(Aminomethyl)-2-oxooxazolidin-3-yl)phenyl)morpholin-3-one hydrochloride 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: 92.4%

(S)-4-(4-{5-[(benzylidene-amino)-methyl]-2-oxo-oxazolidine-3-yl}-phenyl)-morpholin-3-one (1414932-73-2) → 4-{4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidine-3-yl]phenyl}morpholin-3-one hydrochloride (898543-06-1)

Guidance literature:

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

Reference yield: 90.3%

2-({(5S)-2-oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-1,3-oxazolidin-5-yl}methyl)-1H-isoindole-1,3(2H)-dione (446292-08-6,1424944-35-3) + methylamine (74-89-5) → 4-{4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidine-3-yl]phenyl}morpholin-3-one hydrochloride (898543-06-1)

Guidance literature:

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;

With hydrogenchloride; In ethanol; at 50 - 60 ℃; pH=2 - Ca. 3; Large scale;

Reference yield: 90.2%

4-{4-[(5S)-5-((dibenzylamino)methyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}morpholin-3-one (1372665-04-7) → 4-{4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidine-3-yl]phenyl}morpholin-3-one hydrochloride (898543-06-1)

Guidance literature:

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;

With hydrogenchloride; In methanol; for 4h; Reagent/catalyst;

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

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

1,1'-carbonyldiimidazole

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

Downstream raw materials:

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

5-chloro-N-({(5)-2-oxo-3-[4-(3-oxo-4-morpholinyl)-phenyl]-1,3-oxazolidin-5-yl}-methyl)-2-thiophenecarboxamide

(S)-4,5-dichloro-N-[[2-oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-1,3-oxazolidin-5-yl]methyl]-2-thiophenecarboxamide

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

Refernces

• 1、 -. "Preparation method and use of rivaroxaban intermediate". . . Retrieved 2019/04/26.
• 2、 -. "Preparation and application of key intermediate of rivaroxaban". Paragraph 0034; 0037-0042. . Retrieved 2019/09/14.