[4-(4-Fluorophenyl)phenyl]methylamine hydrochloride

Base Information

• Chemical Name: [4-(4-Fluorophenyl)phenyl]methylamine hydrochloride
• CAS No.: 518357-40-9
• Molecular Formula: C13H13ClFN
• Molecular Weight: 237.7
• ChEMBL ID: CHEMBL2403805
• Mol file: 518357-40-9.mol

Synonyms:518357-40-9;[4-(4-Fluorophenyl)phenyl]methylamine hydrochloride;4-(4-FLUOROPHENYLBENZYLAMINE HCL;(4'-Fluoro-[1,1'-biphenyl]-4-yl)methanamine hydrochloride;[4-(4-fluorophenyl)phenyl]methanamine;hydrochloride;C-(4'-FLUORO-BIPHENYL-4-YL)-METHYLAMINE HYDROCHLORIDE;C-(4'-Fluoro-biphenyl-4-yl)-methylamine, HCl;(4'-Fluoro-[1,1'-biphenyl]-4-yl)methanaminehydrochloride;[4-(4-Fluorophenyl)Phenyl]Methanamine Hydrochloride;4-(4-fluorophenylbenzylamine hydrochloride;4-(4-Fluorophenylbenzylamine) hydrochloride;CHEMBL2403805;SCHEMBL20497365;AR2006;MFCD02089427;AKOS027327837;AS-45258;c-(4'-fluorobiphenyl-4-yl)methylamine HCl;CS-0170957;(4'-fluorobiphenyl-4-yl)methanamine hydrochloride;A912863;1-{4'-FLUORO-[1,1'-BIPHENYL]-4-YL}METHANAMINE HYDROCHLORIDE

Chemical Property of [4-(4-Fluorophenyl)phenyl]methylamine hydrochloride

Chemical Property:

• Boiling Point: 322.9oC at 760 mmHg
• Flash Point: 159.9oC
• PSA: 26.02000
• Density: 1.124g/cm3
• LogP: 4.45370
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 237.0720553
• Heavy Atom Count: 16
• Complexity: 179

Purity/Quality:

98%Min ^*data from raw suppliers

(4'-Fluoro-[1,1'-biphenyl]-4-yl)methanaminehydrochloride 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1CN)C2=CC=C(C=C2)F.Cl

Technology Process of [4-(4-Fluorophenyl)phenyl]methylamine hydrochloride

There total 2 articles about [4-(4-Fluorophenyl)phenyl]methylamine hydrochloride 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:

4-Bromobenzylamine (3959-07-7) + 4-fluoroboronic acid (1765-93-1) → (4′-fluorobiphenyl-4-yl)methylammonium chloride (518357-40-9)

Guidance literature:

Multi-step reaction with 2 steps

1: tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate / acetonitrile; water / 16 h / 90 °C / Inert atmosphere

2: hydrogenchloride / water; ethyl acetate / 1 h / 20 °C

With hydrogenchloride; tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In water; ethyl acetate; acetonitrile; 1: |Suzuki Coupling;

DOI:10.1021/jm4007092

Reference yield:

(4'-fluoro-[1,1'-biphenyl]-4-yl)methanamine (776291-03-3) → (4′-fluorobiphenyl-4-yl)methylammonium chloride (518357-40-9)

Guidance literature:

With hydrogenchloride; In water; ethyl acetate; at 20 ℃; for 1h;

DOI:10.1021/jm4007092

Reference yield:

(4′-fluorobiphenyl-4-yl)methylammonium chloride (518357-40-9) → (4'-fluoro-[1,1'-biphenyl]-4-yl)methanamine (776291-03-3)

Guidance literature:

With sodium hydroxide; In water; pH=10;

DOI:10.1021/jm500707r

upstream raw materials:

4-Bromobenzylamine

4-fluoroboronic acid

(4'-fluoro-[1,1'-biphenyl]-4-yl)methanamine

Downstream raw materials:

(4'-fluoro-[1,1'-biphenyl]-4-yl)methanamine

Refernces

• 1、 Lee, Hyosung,Park, Ki Duk,Yang, Xiao-Fang,Dustrude, Erik T.,Wilson, Sarah M.,Khanna, Rajesh,Kohn, Harold. "(Biphenyl-4-yl)methylammonium chlorides: Potent anticonvulsants that modulate Na+ currents". . p. 5931 - 5939. Retrieved 2013/08/23.