4-Phenylmorpholin-3-one

Base Information

• Chemical Name: 4-Phenylmorpholin-3-one
• CAS No.: 29518-11-4
• Molecular Formula: C10H11NO2
• Molecular Weight: 177.203
• Hs Code.: 2934999090
• European Community (EC) Number: 608-371-6
• UNII: SXH59V2JFF
• DSSTox Substance ID: DTXSID00408926
• Nikkaji Number: J1.286.788C
• Wikidata: Q72497951
• Mol file: 29518-11-4.mol

Synonyms:4-phenylmorpholin-3-one;29518-11-4;4-phenyl-3-Morpholinone;MFCD00624822;3-Morpholinone,4-phenyl-;4-Phenylmorpholin-3-on;phenylmorpholin-3-one;SXH59V2JFF;3-Morpholinone, 4-phenyl;4-phenyl morpholine-3-one;EC 608-371-6;SCHEMBL198132;DTXSID00408926;SIWXCJHUZAEIAE-UHFFFAOYSA-N;CS-B0474;AKOS000416826;FE-0234;AC-26443;SY108001;A5500;FT-0682032;NS00006635;J-515947

Chemical Property of 4-Phenylmorpholin-3-one

Chemical Property:

• Vapor Pressure: 1.87E-06mmHg at 25°C
• Melting Point: 113-114 °C
• Refractive Index: 1.559
• Boiling Point: 395.2 °C at 760 mmHg
• PKA: 0.27±0.20(Predicted)
• Flash Point: 192.8 °C
• PSA: 29.54000
• Density: 1.187 g/cm³
• LogP: 1.11480
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), DMSO (Slightly)
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 177.078978594
• Heavy Atom Count: 13
• Complexity: 187

Purity/Quality:

99.9% ^*data from raw suppliers

4-Phenyl-3-morpholinone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCC(=O)N1C2=CC=CC=C2
• Uses: 4-Phenyl-3-morpholinone is used in studies to evaluate the bactericidal activity.

Technology Process of 4-Phenylmorpholin-3-one

There total 14 articles about 4-Phenylmorpholin-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: 97.0%

2-(2-chloroethoxy)-N-phenylacetamide → 4-phenylmorpholin-3-one (29518-11-4)

Guidance literature:

With potassium carbonate; In acetonitrile; for 6h; Solvent; Reflux;

Reference yield: 90.0%

4-Phenylmorpholine (92-53-5) → 4-phenylmorpholin-3-one (29518-11-4)

Guidance literature:

4-Phenylmorpholine; With sodium dihydrogenphosphate; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; In acetonitrile; at 0 ℃; for 0.0833333h;

With sodium hypochlorite; sodium chlorite; In water; acetonitrile;

DOI:10.1021/acs.joc.8b02564

Reference yield: 89.0%

chloroacetyl chloride (79-04-9) + 2-Anilinoethanol (122-98-5) → 4-phenylmorpholin-3-one (29518-11-4)

Guidance literature:

With sodium hydroxide; In ethanol; water; at 0 - 38 ℃; for 2h; pH=12 - 12.5;

DOI:10.1016/j.ejmech.2015.03.052

upstream raw materials:

chloroacetic acid ethyl ester

4-Phenylmorpholine

chloroacetyl chloride

2-Anilinoethanol

Downstream raw materials:

2-<1-hydroxy-1-phenylmethyl>-4-phenyl-3-morpholinone

4-(4-nitrophenyl)-3-morpholinone

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

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