Benzenamine, 4-fluoro-N-(1-phenylethylidene)-

Base Information

• Chemical Name: Benzenamine, 4-fluoro-N-(1-phenylethylidene)-
• CAS No.: 591751-71-2
• Molecular Formula: C14H12FN
• Molecular Weight: 213.254
• DSSTox Substance ID: DTXSID70461947
• Nikkaji Number: J1.932.333A,J3.341.477C
• Mol file: 591751-71-2.mol

Synonyms:Benzenamine, 4-fluoro-N-(1-phenylethylidene)-;591751-71-2;SCHEMBL13440552;DTXSID70461947

Chemical Property of Benzenamine, 4-fluoro-N-(1-phenylethylidene)-

Chemical Property:

• Melting Point: 86-87 °C
• Boiling Point: 290.3±32.0 °C(Predicted)
• PSA: 12.36000
• Density: 1.02±0.1 g/cm3(Predicted)
• LogP: 3.96640
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 213.095377549
• Heavy Atom Count: 16
• Complexity: 235

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=NC1=CC=C(C=C1)F)C2=CC=CC=C2

Technology Process of Benzenamine, 4-fluoro-N-(1-phenylethylidene)-

There total 2 articles about Benzenamine, 4-fluoro-N-(1-phenylethylidene)- 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: 96.0%

phenylacetylene (536-74-3) + 4-fluoroaniline (371-40-4) → 4-fluoro-N-(α-methylbenzylidene)aniline (591751-71-2)

Guidance literature:

With C₄₆H₇₀Br₄Hg₂N₂; In tetrahydrofuran; at 67 ℃; for 11h; regioselective reaction; Inert atmosphere; Schlenk technique;

DOI:10.1039/c7dt04589a

Reference yield: 70.0%

acetophenone (98-86-2) + 4-fluoroaniline (371-40-4) → 4-fluoro-N-(α-methylbenzylidene)aniline (591751-71-2)

Guidance literature:

With toluene-4-sulfonic acid; In toluene; at 100 ℃; for 12h; Molecular sieve;

DOI:10.1039/c7nj03912c

Reference yield: 95.0%

4-fluoro-N-(α-methylbenzylidene)aniline (591751-71-2) → 4-fluoro-N-(1-phenylethyl)benzenamine

Guidance literature:

With bis(1,5-cyclooctadiene)diiridium(I) dichloride; (Sc,Sa)-PEAPhos-Me; hydrogen; potassium iodide; In dichloromethane; at 20 ℃; for 24h; under 45004.5 Torr; enantioselective reaction; Autoclave; Glovebox;

DOI:10.1039/c4ra16062b

upstream raw materials:

acetophenone

4-fluoroaniline

phenylacetylene

Downstream raw materials:

2-phenyl-6-fluoroquinoxaline

6-fluoro-2-phenylquinolin-4(1H)-one

N-4-bromophenyl-N-[(1-phenyl)ethyl]amine