1-(Dimethylamino)-3-phenylpropan-2-one

Base Information

• Chemical Name: 1-(Dimethylamino)-3-phenylpropan-2-one
• CAS No.: 114049-98-8
• Molecular Formula: C11H15NO
• Molecular Weight: 177.246
• DSSTox Substance ID: DTXSID00551380
• Wikidata: Q82431015
• Mol file: 114049-98-8.mol

Synonyms:1-(Dimethylamino)-3-phenylpropan-2-one;114049-98-8;SCHEMBL3329127;DTXSID00551380;CS-0291971;EN300-246542

Chemical Property of 1-(Dimethylamino)-3-phenylpropan-2-one

Chemical Property:

• Boiling Point: 141 °C(Press: 26 Torr)
• PSA: 20.31000
• Density: 1.006±0.06 g/cm3(Predicted)
• LogP: 1.35980
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 177.115364102
• Heavy Atom Count: 13
• Complexity: 160

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 1-(Dimethylamino)-3-phenylpropan-2-one

There total 5 articles about 1-(Dimethylamino)-3-phenylpropan-2-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:

1-bromo-3-phenyl-2-propanone (20772-12-7) + dimethyl amine (124-40-3) → 1-dimethylamino-3-phenyl-acetone (114049-98-8)

Guidance literature:

In tetrahydrofuran; at 20 ℃; for 0.75h;

DOI:10.1021/ol0481481

Reference yield:

N,N-Dimethylamino acetonitrile (926-64-7) → 1-dimethylamino-3-phenyl-acetone (114049-98-8)

Guidance literature:

With oxonium; magnesium; Yield given. Multistep reaction;

DOI:10.1039/c39870001288

Reference yield:

N,N-Dimethylamino acetonitrile (926-64-7) + benzylmagnesium chloride (6921-34-2) → 1-dimethylamino-3-phenyl-acetone (114049-98-8)

Guidance literature:

With diethyl ether; anschliessend Behandeln mit Eis und Ammoniumchlorid oder mit wss. Schwefelsaeure;

DOI:10.1039/jr9320002607

upstream raw materials:

N,N-Dimethylamino acetonitrile

benzylmagnesium chloride

dimethyl amine

1-bromo-3-phenyl-2-propanone

Downstream raw materials:

1-dimethylamino-3-phenyl-propan-2-ol