N,N-Diethyl-3-fluorobenzenamine

Base Information

• Chemical Name: N,N-Diethyl-3-fluorobenzenamine
• CAS No.: 2524-69-8
• Molecular Formula: C10H14FN
• Molecular Weight: 167.226
• DSSTox Substance ID: DTXSID601304966
• Mol file: 2524-69-8.mol

Synonyms:N,N-Diethyl-3-fluorobenzenamine;2524-69-8;SCHEMBL3425607;DTXSID601304966

Chemical Property of N,N-Diethyl-3-fluorobenzenamine

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 167.111027613
• Heavy Atom Count: 12
• Complexity: 123

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)C1=CC(=CC=C1)F

Technology Process of N,N-Diethyl-3-fluorobenzenamine

There total 8 articles about N,N-Diethyl-3-fluorobenzenamine 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:

3-fluorobromobenzene (1073-06-9) + diethylamine (109-89-7) → m-fluoro-NN-diethylaniline (2524-69-8)

Guidance literature:

With copper(l) iodide; 2-(N,N-dimethylamino)ethanol; tripotassium phosphate "n" hydrate; copper; at 80 ℃; for 72h;

Reference yield:

diethylamine (109-89-7) + 1-Bromo-4-fluorobenzene (460-00-4) → m-fluoro-NN-diethylaniline (2524-69-8) + N,N-diethyl-4-methoxyaniline (347-39-7)

Guidance literature:

With sodium t-butanolate; PdNaY; In toluene; at 135 ℃; for 20h; Title compound not separated from byproducts;

DOI:10.1016/S0022-328X(99)00518-5

Reference yield:

fluorobenzene (462-06-6) + diethylamine (109-89-7) → m-fluoro-NN-diethylaniline (2524-69-8) + N,N-diethyl-4-methoxyaniline (347-39-7)

Guidance literature:

palladium on activated charcoal; Yield given. Multistep reaction. Yields of byproduct given. Title compound not separated from byproducts; 1.) irradiation, 20-25 deg C, 24 h, 2.) toluene, reflux, 5 h;

upstream raw materials:

fluorobenzene

diethylamine

1-fluoro-3-methoxybenzene

1,3-Difluorobenzene

Refernces

• 1、 Djakovitch, Laurent,Wagner, Michael,Koehler, Klaus. "Amination of aryl bromides catalysed by supported palladium". . p. 225 - 234. Retrieved 2007/10/03.
• 2、 Gilbert, Andrew,Krestonosich, Stefan. "Exited State Substitution and Addition Reactions of Aryl Fluorides with Aliphatic Amines". . p. 1393 - 1399. Retrieved 2007/10/02.