1-(3-(Dimethylamino)phenyl)-2,2,2-trifluoroethanone

Base Information

• Chemical Name: 1-(3-(Dimethylamino)phenyl)-2,2,2-trifluoroethanone
• CAS No.: 33284-23-0
• Molecular Formula: C10H10 F3 N O
• Molecular Weight: 217.1877096
• Hs Code.: 2922399090
• DSSTox Substance ID: DTXSID20186911
• Nikkaji Number: J1.305.332D
• Wikidata: Q83058349
• Mol file: 33284-23-0.mol

Synonyms:3-(N,N-dimethylamino)trifluoroacetophenone;3-DMeN-CF3AP;m-(N,N-dimethylamino)trifluoroacetophenone

Chemical Property of 1-(3-(Dimethylamino)phenyl)-2,2,2-trifluoroethanone

Chemical Property:

• Vapor Pressure: 0.0108mmHg at 25°C
• Boiling Point: 262.6°Cat760mmHg
• Flash Point: 112.6°C
• PSA: 20.31000
• Density: 1.238g/cm³
• LogP: 2.49760
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 217.07144843
• Heavy Atom Count: 15
• Complexity: 237

Purity/Quality:

97% ^*data from raw suppliers

3'-(Dimethylamino)-2,2,2-trifluoroacetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(3-(Dimethylamino)phenyl)-2,2,2-trifluoroethanone

There total 4 articles about 1-(3-(Dimethylamino)phenyl)-2,2,2-trifluoroethanone 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:

2-chloro-2,2-difluoro-1-(3-dimethylaminophenyl)ethanone → 2,2,2-trifluoro-1-(3-dimethylaminophenyl)ethanone (33284-23-0)

Guidance literature:

With potassium fluoride; potassium carbonate; [2.2.2]cryptande; In water; acetonitrile; at 110 ℃; for 0.5h; Inert atmosphere; Sealed tube;

DOI:10.1016/j.bmc.2016.08.048

Reference yield:

m-Bromoaniline (591-19-5) → 2,2,2-trifluoro-1-(3-dimethylaminophenyl)ethanone (33284-23-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 48 percent / KOH / H₂O / 2.33 h

2: 1.) t-BuLi / 1.) THF, hexane, from -78 deg C to -70 deg C, 30 min, 2.) Et₂O, THF, hexane, -78 deg C, 10 min

With potassium hydroxide; tert.-butyl lithium; In water;

DOI:10.1021/ja00075a009

Reference yield:

ethyl trifluoroacetate, (383-63-1) + 3-bromo-N,N-dimethylaniline (16518-62-0) → 2,2,2-trifluoro-1-(3-dimethylaminophenyl)ethanone (33284-23-0)

Guidance literature:

With tert.-butyl lithium; Multistep reaction; 1.) THF, hexane, from -78 deg C to -70 deg C, 30 min, 2.) Et₂O, THF, hexane, -78 deg C, 10 min;

DOI:10.1021/ja00075a009

upstream raw materials:

N,N-diethyl-2,2,2-trifluoroacetamide

3-bromo-N,N-dimethylaniline

ethyl trifluoroacetate,

m-Bromoaniline