4-Fluoro-N-phenethylaniline

Base Information

• Chemical Name: 4-Fluoro-N-phenethylaniline
• CAS No.: 220751-29-1
• Molecular Formula: C₁₄H₁₄FN
• Molecular Weight: 215.27
• UNII: L9B7K8Y4NT
• Nikkaji Number: J1.069.360H
• Mol file: 220751-29-1.mol

Synonyms:4-Fluoro-N-phenethylaniline;L9B7K8Y4NT;SCHEMBL3910280;CTEIFOLFLBKZKX-UHFFFAOYSA-N;4-fluoro-N-(2-phenylethyl)aniline;N-(4-Fluorophenyl)benzeneethanamine;N-(2-phenylethyl)-(p-fluoro)aniline;AKOS000241199;220751-29-1

Chemical Property of 4-Fluoro-N-phenethylaniline

Chemical Property:

• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 215.111027613
• Heavy Atom Count: 16
• Complexity: 181

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCNC2=CC=C(C=C2)F

Technology Process of 4-Fluoro-N-phenethylaniline

There total 5 articles about 4-Fluoro-N-phenethylaniline 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: 84.0%

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) → N-(2-Phenylethyl)-(4-fluoro)aniline (220751-29-1)

Guidance literature:

In hexane; ethyl acetate;

Reference yield: 81.0%

phenylacetylene (536-74-3) + 4-fluoroaniline (371-40-4) → N-(2-Phenylethyl)-(4-fluoro)aniline (220751-29-1)

Guidance literature:

phenylacetylene; 4-fluoroaniline; With bis(N-2,6-diisoprpylphenylbenzamidato)bis(dimethylamido)titanium (IV); In benzene; at 70 ℃; for 1h; Inert atmosphere; Glovebox; Sealed tube;

With palladium 10% on activated carbon; hydrogen; In methanol; benzene; at 20 ℃; for 3h; under 2250.23 Torr; regioselective reaction; Sealed tube;

DOI:10.1002/adsc.201500861

Reference yield: 75.0%

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + 4-fluoroaniline (371-40-4) → N-(2-Phenylethyl)-(4-fluoro)aniline (220751-29-1)

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran; at 120 ℃; for 20h;

DOI:10.1016/S0045-6535(00)00319-2

upstream raw materials:

styrene

4-fluoroaniline

phenylacetylene

Downstream raw materials:

ethyl 6-fluoro-4-hydroxy-2-oxo-1-(2-phenylethyl)-1,2-dihydro-3-quinolinecarboxylate