Oxazorone

Base Information

• Chemical Name: Oxazorone
• CAS No.: 25392-50-1
• Molecular Formula: C14H15 N O4
• Molecular Weight: 261.277
• Hs Code.: 2934999090
• European Community (EC) Number: 937-385-8
• UNII: 77243B845F
• DSSTox Substance ID: DTXSID10180044
• Wikidata: Q27266539
• NCI Thesaurus Code: C81043
• Metabolomics Workbench ID: 155734
• ChEMBL ID: CHEMBL2104575
• Mol file: 25392-50-1.mol

Synonyms:Oxazorone;25392-50-1;7-hydroxy-4-(morpholin-4-ylmethyl)-2H-chromen-2-one;Oxazoronum;7-hydroxy-4-(morpholin-4-ylmethyl)chromen-2-one;Oxazoron;Oxazorona;Oxazorone [INN:DCF];7-Hydroxy-4-(morpholinomethyl)-2H-chromen-2-one;7-Hydroxy-4-(morpholinomethyl)coumarin;UNII-77243B845F;77243B845F;7-Hydroxy-4-(Morpholinomethyl)chromen-2-One;7-hydroxy-4-[(morpholin-4-yl)methyl]-2H-chromen-2-one;OXAZORONE [INN];MLS006011661;SCHEMBL2109280;CHEMBL2104575;DTXSID10180044;MFCD00868668;AKOS015991514;KF-0034;SMR004703412;Coumarin, 7-hydroxy-4-(morpholinomethyl)-;CS-0450391;SR-01000944951;SR-01000944951-1;Q27266539;Z44499050;WY3

Chemical Property of Oxazorone

Chemical Property:

• Vapor Pressure: 1.94E-09mmHg at 25°C
• Boiling Point: 469.5°C at 760 mmHg
• PKA: 7.95±0.20(Predicted)
• Flash Point: 237.8°C
• PSA: 62.91000
• Density: 1.335g/cm³
• LogP: 1.26870
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 261.10010796
• Heavy Atom Count: 19
• Complexity: 376

Purity/Quality:

98%min ^*data from raw suppliers

7-Hydroxy-4-(morpholin-4-ylmethyl)-2H-chromen-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCN1CC2=CC(=O)OC3=C2C=CC(=C3)O

Technology Process of Oxazorone

There total 6 articles about Oxazorone 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: 86.0%

morpholine (110-91-8,99108-56-2) + 4-chloromethyl-7-hydroxycoumarin (25392-41-0) → 7-hydroxy-4-(morpholin-4-ylmethyl)-2H-benzopyran-2-one (25392-50-1)

Guidance literature:

With potassium carbonate; In acetone; Reflux;

DOI:10.1016/j.bioorg.2020.103663

Reference yield: 77.0%

morpholine (110-91-8,99108-56-2) + 4-(bromomethyl)-7-hydroxy-2H-chromen-2-one (161798-25-0) → 7-hydroxy-4-(morpholin-4-ylmethyl)-2H-benzopyran-2-one (25392-50-1)

Guidance literature:

In 2-methoxy-ethanol; for 6h; Reflux;

DOI:10.1016/j.dyepig.2020.108270

Reference yield:

recorcinol (108-46-3) → 7-hydroxy-4-(morpholin-4-ylmethyl)-2H-benzopyran-2-one (25392-50-1)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfuric acid

2: potassium carbonate / acetonitrile / 0.75 h

With sulfuric acid; potassium carbonate; In acetonitrile;

DOI:10.1016/j.bmcl.2016.10.056

upstream raw materials:

recorcinol

morpholine

4-chloromethyl-7-hydroxycoumarin

4-(bromomethyl)-7-methoxycoumarin