3-Methyl-3-phenylazetidin-2-one

Base Information

• Chemical Name: 3-Methyl-3-phenylazetidin-2-one
• CAS No.: 1623-64-9
• Molecular Formula: C10H11 N O
• Molecular Weight: 161.2004
• Hs Code.: 2933790090
• DSSTox Substance ID: DTXSID50936683
• Nikkaji Number: J35.236E
• Mol file: 1623-64-9.mol

Synonyms:3-methyl-3-phenylazetidin-2-one;1623-64-9;3-Methyl-3-phenyl-2-azetidinone;L 1714;BRN 0123626;3-Metil-3-fenil-2-azetidinone [Italian];2-AZETIDINONE, 3-METHYL-3-PHENYL-;3-Metil-3-fenil-2-azetidinone;5-21-08-00094 (Beilstein Handbook Reference);DTXSID50936683;LS-23159;3-Methyl-3-phenyl-3,4-dihydroazet-2-ol

Chemical Property of 3-Methyl-3-phenylazetidin-2-one

Chemical Property:

• Vapor Pressure: 9.11E-05mmHg at 25°C
• Boiling Point: 339.6°Cat760mmHg
• Flash Point: 198.3°C
• PSA: 32.59000
• Density: 1.103g/cm³
• LogP: 1.35000
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 161.084063974
• Heavy Atom Count: 12
• Complexity: 196

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CNC1=O)C2=CC=CC=C2

Technology Process of 3-Methyl-3-phenylazetidin-2-one

There total 6 articles about 3-Methyl-3-phenylazetidin-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: 66.0%

1-(5-methoxyquinolin-8-yl)-3-methyl-3-phenylazetidin-2-one → 3-methyl-3-phenylazetidin-2-one (1623-64-9)

Guidance literature:

With ammonium cerium (IV) nitrate; In water; acetonitrile; at 25 ℃; for 6h;

DOI:10.1002/chem.201403356

Reference yield:

C20H20N2O2 → 3-methyl-3-phenylazetidin-2-one (1623-64-9)

Guidance literature:

Multi-step reaction with 2 steps

1: [Ni(1,2-dimethoxyethane)₂I₂]; dipotassium hydrogenphosphate; tetra-(n-butyl)ammonium iodide; 2,2,6,6-tetramethyl-piperidine-N-oxyl / benzonitrile / 24 h / 150 °C

2: ammonium cerium (IV) nitrate / acetonitrile; water / 6 h / 25 °C

With 2,2,6,6-tetramethyl-piperidine-N-oxyl; dipotassium hydrogenphosphate; ammonium cerium (IV) nitrate; [Ni(1,2-dimethoxyethane)₂I₂]; tetra-(n-butyl)ammonium iodide; In water; benzonitrile; acetonitrile;

DOI:10.1002/chem.201403356

Reference yield:

2-methyl-2-phenylpropionic acid (826-55-1) → 3-methyl-3-phenylazetidin-2-one (1623-64-9)

Guidance literature:

Multi-step reaction with 3 steps

1: triethylamine / dichloromethane / 25 °C

2: [Ni(1,2-dimethoxyethane)₂I₂]; dipotassium hydrogenphosphate; tetra-(n-butyl)ammonium iodide; 2,2,6,6-tetramethyl-piperidine-N-oxyl / benzonitrile / 24 h / 150 °C

3: ammonium cerium (IV) nitrate / acetonitrile; water / 6 h / 25 °C

With 2,2,6,6-tetramethyl-piperidine-N-oxyl; dipotassium hydrogenphosphate; ammonium cerium (IV) nitrate; [Ni(1,2-dimethoxyethane)₂I₂]; tetra-(n-butyl)ammonium iodide; triethylamine; In dichloromethane; water; benzonitrile; acetonitrile;

DOI:10.1002/chem.201403356

upstream raw materials:

2-methyl-2-phenylpropionic acid