Benzenemethanamine, N-(3-fluorophenyl)-

Base Information

• Chemical Name: Benzenemethanamine, N-(3-fluorophenyl)-
• CAS No.: 123330-53-0
• Molecular Formula: C13H12FN
• Molecular Weight: 201.243
• DSSTox Substance ID: DTXSID30443047
• Nikkaji Number: J270.439K
• Mol file: 123330-53-0.mol

Synonyms:N-Benzyl-3-fluoroaniline;Benzenemethanamine, N-(3-fluorophenyl)-;123330-53-0;3-fluoro-N-(benzyl)aniline;SCHEMBL11015099;DTXSID30443047;AKOS000235141;CS-0270021;EN300-162801;Z137738784

Chemical Property of Benzenemethanamine, N-(3-fluorophenyl)-

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 201.095377549
• Heavy Atom Count: 15
• Complexity: 177

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzenemethanamine, N-(3-fluorophenyl)-

There total 11 articles about Benzenemethanamine, N-(3-fluorophenyl)- 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: 99.0%

meta-fluoroaniline (372-19-0) + benzyl alcohol (100-51-6,185532-71-2) → N-(3-fluorophenyl)-benzenemethanamine (123330-53-0)

Guidance literature:

With C₁₉H₂₂MnN₃O₃P⁽¹⁺⁾; potassium hydride; In 1,2-dimethoxyethane; at 60 ℃; for 24h; Glovebox; Sealed tube; Inert atmosphere;

DOI:10.1021/acs.orglett.9b00832

Reference yield: 85.0%

3-fluorophenylboronic acid (768-35-4) + benzyl azide (622-79-7) → N-(3-fluorophenyl)-benzenemethanamine (123330-53-0)

Guidance literature:

In 5,5-dimethyl-1,3-cyclohexadiene; at 140 ℃; Inert atmosphere;

DOI:10.1016/j.tetlet.2010.11.103

Reference yield: 80.0%

1-Fluoro-3-iodobenzene (1121-86-4) + benzylamine (100-46-9) → N-(3-fluorophenyl)-benzenemethanamine (123330-53-0)

Guidance literature:

With copper(l) iodide; potassium carbonate; L-proline; In dimethyl sulfoxide; at 60 ℃; for 14h;

DOI:10.1021/ol0346584

upstream raw materials:

meta-fluoroaniline

benzyl chloride

3-fluoro-N-[phenylmethylidene]aniline

benzaldehyde

Downstream raw materials:

3-[(3-fluorophenyl)[phenylmethyl]amino]-1,1,1-trifluoro-2-propanol

2-{[benzyl-(3-fluoro-phenyl)-carbamoyl]-methylene}-malonic acid diethyl ester

3-[(3-fluorophenyl)amino]-1,1,1-trifluoro-2-propanol

3-[3-fluorophenyl[3-(trifluoromethyl)benzoyl]amino]-1,1,1-trifluoro-2-propyl benzoate