N-(4-Methoxybenzylidene)-4-fluoroaniline

Base Information

• Chemical Name: N-(4-Methoxybenzylidene)-4-fluoroaniline
• CAS No.: 3381-48-4
• Molecular Formula: C14H12FNO
• Molecular Weight: 229.254
• Hs Code.: 2925290090
• European Community (EC) Number: 622-761-3
• DSSTox Substance ID: DTXSID10351732
• Nikkaji Number: J994.460E
• Mol file: 3381-48-4.mol

Synonyms:N-(4-Methoxybenzylidene)-4-fluoroaniline;3381-48-4;N-(4-fluorophenyl)-1-(4-methoxyphenyl)methanimine;4-Fluoro-N-(4-methoxybenzylidene)aniline;SCHEMBL2904627;DTXSID10351732;STK070800;AKOS000344077;4-fluorophenyl(4-methoxybenzylidene)-amine;N-(4-Methoxybenzylidene)-4-fluoroaniline, 97%;J-019330;4-fluoro-N-[(E)-(4-methoxyphenyl)methylidene]aniline

Chemical Property of N-(4-Methoxybenzylidene)-4-fluoroaniline

Chemical Property:

• Vapor Pressure: 9.31E-05mmHg at 25°C
• Melting Point: 65-69oC(lit.)
• Boiling Point: 349.7oC at 760 mmHg
• PKA: 3.73±0.50(Predicted)
• Flash Point: 165.3oC
• PSA: 21.59000
• Density: 1.07g/cm3
• LogP: 3.58490
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 229.090292168
• Heavy Atom Count: 17
• Complexity: 241

Purity/Quality:

98%Min ^*data from raw suppliers

N-(4-Methoxybenzylidene)-4-fluoroaniline 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,N
• Hazard Codes: Xi,N
• Statements: 41-51/53
• Safety Statements: 26-39-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C=NC2=CC=C(C=C2)F

Technology Process of N-(4-Methoxybenzylidene)-4-fluoroaniline

There total 5 articles about N-(4-Methoxybenzylidene)-4-fluoroaniline 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: 85.0%

→ N-(4-methoxybenzylidene)-4-fluoroaniline (3381-48-4)

Guidance literature:

Reference yield: 61.0%

4-methoxy-benzaldehyde (123-11-5) + para-fluorophenyl isocyanate (1195-45-5) → N-(4-methoxybenzylidene)-4-fluoroaniline (3381-48-4)

Guidance literature:

4-methoxy-benzaldehyde; para-fluorophenyl isocyanate; With tetrabutoxytitanium; In tetrahydrofuran; at 20 ℃; for 54h; Inert atmosphere;

With water; In tetrahydrofuran; for 1h; Inert atmosphere;

DOI:10.1016/j.jorganchem.2009.10.044

Reference yield: 50.0%

4-methoxy-benzaldehyde (123-11-5) + 4-fluoroaniline (371-40-4) → N-(4-methoxybenzylidene)-4-fluoroaniline (3381-48-4)

Guidance literature:

In benzene; for 2h; Heating;

upstream raw materials:

4-methoxy-benzaldehyde

4-fluoroaniline

para-fluorophenyl isocyanate

4-methoxybenzonitrile

Refernces

• 1、 Cui, Xinjiang,Li, Wu,Junge, Kathrin,Fei, Zhaofu,Beller, Matthias,Dyson, Paul J.. "Selective Acceptorless Dehydrogenation of Primary Amines to Imines by Core–Shell Cobalt Nanoparticles". supporting information. p. 7501 - 7507. Retrieved 2020/03/16.
• 2、 Jiang, Yao,Schaus, Scott E.. "Asymmetric Petasis Borono-Mannich Allylation Reactions Catalyzed by Chiral Biphenols". supporting information. p. 1544 - 1548. Retrieved 2017/02/05.