4-fluoro-N-[(4-methylphenyl)methyl]aniline

Base Information

• Chemical Name: 4-fluoro-N-[(4-methylphenyl)methyl]aniline
• CAS No.: 80143-72-2
• Molecular Formula: C14H14FN
• Molecular Weight: 215.27
• European Community (EC) Number: 653-845-8
• NSC Number: 159067
• DSSTox Substance ID: DTXSID101000993
• Wikidata: Q82994784
• ChEMBL ID: CHEMBL2296107
• Mol file: 80143-72-2.mol

Synonyms:CHEMBL2296107;80143-72-2;4-fluoro-N-[(4-methylphenyl)methyl]aniline;4-fluoro-n-(4-methylbenzyl)aniline;NSC159067;SCHEMBL6414545;DTXSID101000993;BDBM50489071;AKOS000241003;NSC-159067;(4-fluorophenyl)-(4-methylbenzyl)-amine;N-(4-FLUOROPHENYL)-4-METHYLBENZYLAMINE

Chemical Property of 4-fluoro-N-[(4-methylphenyl)methyl]aniline

Chemical Property:

• Vapor Pressure: 0.000254mmHg at 25°C
• Boiling Point: 323.9°Cat760mmHg
• Flash Point: 149.7°C
• Density: 1.132g/cm³
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 215.111027613
• Heavy Atom Count: 16
• Complexity: 191

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)CNC2=CC=C(C=C2)F

Technology Process of 4-fluoro-N-[(4-methylphenyl)methyl]aniline

There total 6 articles about 4-fluoro-N-[(4-methylphenyl)methyl]aniline 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: 97.0%

→ 4-fluoro-N-(4-methylbenzyl)aniline (80143-72-2)

Guidance literature:

With C₃₇H₆₈O₄P₂Ru; hydrogen; In methanol; at 100 ℃; for 24h; under 37503.8 Torr; Autoclave;

Reference yield: 82.0%

(4-fluorophenyl)(4-methylbenzylidene)amine (39769-19-2) → 4-fluoro-N-(4-methylbenzyl)aniline (80143-72-2)

Guidance literature:

With 4-Fluorothiophenol; In toluene; for 8h; Sealed tube; Irradiation;

DOI:10.1021/acs.joc.8b01651

Reference yield: 78.0%

4-Methylbenzyl alcohol (589-18-4) + 4-fluoroaniline (371-40-4) → 4-fluoro-N-(4-methylbenzyl)aniline (80143-72-2)

Guidance literature:

With samarium diiodide; potassium tert-butylate; In tetrahydrofuran; toluene; at 140 ℃; for 1h; Microwave irradiation; Inert atmosphere;

DOI:10.1021/acs.joc.9b00717

upstream raw materials:

(4-fluorophenyl)(4-methylbenzylidene)amine

4-Methylbenzyl chloride

4-fluoroaniline

4-Methylbenzyl alcohol

Downstream raw materials:

N-(4-Fluoro-phenyl)-N-(4-methyl-benzyl)-benzenesulfonamide

N¹,N⁴-bis(4-fluorophenyl)-N¹,N⁴-bis(4-methylbenzyl)fumaramide