Ethanone, 1-(4-methylphenyl)-2-(4-morpholinyl)-2-phenyl-

Base Information

• Chemical Name: Ethanone, 1-(4-methylphenyl)-2-(4-morpholinyl)-2-phenyl-
• CAS No.: 127029-79-2
• Molecular Formula: C19H21NO2
• Molecular Weight: 295.381
• DSSTox Substance ID: DTXSID10395156
• Mol file: 127029-79-2.mol

Synonyms:Ethanone, 1-(4-methylphenyl)-2-(4-morpholinyl)-2-phenyl-;127029-79-2;DTXSID10395156

Chemical Property of Ethanone, 1-(4-methylphenyl)-2-(4-morpholinyl)-2-phenyl-

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 295.157228913
• Heavy Atom Count: 22
• Complexity: 350

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(=O)C(C2=CC=CC=C2)N3CCOCC3

Technology Process of Ethanone, 1-(4-methylphenyl)-2-(4-morpholinyl)-2-phenyl-

There total 7 articles about Ethanone, 1-(4-methylphenyl)-2-(4-morpholinyl)-2-phenyl- 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: 90.0%

2-[(4-morpholinyl)methyl]pyridine (71897-59-1) + carbon monoxide (201230-82-2) + para-bromotoluene (106-38-7) → 2-morpholinyl-2-phenyl-1-(4-methylphenyl)-1-ethanone (127029-79-2)

Guidance literature:

With lithium hexamethyldisilazane; bis(dibenzylideneacetone)-palladium⁽⁰⁾; nixantphos; In 1,4-dioxane; at 80 ℃; for 16h; under 760.051 Torr;

DOI:10.1039/d1sc02078a

Reference yield: 69.0%

morpholine (110-91-8,99108-56-2) + carbon monoxide (201230-82-2) + 4-tolyl iodide (624-31-7) + benzaldehyde p-toluenesulfonylhydrazone (1666-17-7) → 2-morpholinyl-2-phenyl-1-(4-methylphenyl)-1-ethanone (127029-79-2)

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; potassium carbonate; 1,4-di(diphenylphosphino)-butane; In 1,4-dioxane; at 60 ℃; for 17h; chemoselective reaction;

DOI:10.1002/asia.201801324

Reference yield:

phenyl(trimethylsiloxy)acetonitrile (25438-37-3) → 2-morpholinyl-2-phenyl-1-(4-methylphenyl)-1-ethanone (127029-79-2)

Guidance literature:

Multi-step reaction with 3 steps

1: 1.) magnesium / 1.) ether, 2.) ether, CH₂Cl₂, 2 h

2: thionyl chloride / dimethylformamide / 3 h

3: diethyl ether

With thionyl chloride; magnesium; In diethyl ether; N,N-dimethyl-formamide;

DOI:10.1021/ja00052a027

upstream raw materials:

morpholine

2-chloro-1-(4-methylphenyl)-2-phenyl-1-ethanone

4-methylbenzoin

phenyl(trimethylsiloxy)acetonitrile

Downstream raw materials:

4-benzoylmorpholine

p-methylbenzil

4-methyl-benzaldehyde

benzaldehyde