n-Benzyl-1-(4-fluorophenyl)methanamine

Base Information

• Chemical Name: n-Benzyl-1-(4-fluorophenyl)methanamine
• CAS No.: 55096-88-3
• Molecular Formula: C14H14FN
• Molecular Weight: 215.27
• Hs Code.: 2921499090
• European Community (EC) Number: 817-510-1
• DSSTox Substance ID: DTXSID50354843
• Nikkaji Number: J935.560J
• Wikidata: Q82133311
• Mol file: 55096-88-3.mol

Synonyms:n-benzyl-1-(4-fluorophenyl)methanamine;55096-88-3;Benzyl-(4-fluoro-benzyl)-amine;Benzyl-(4-fluorobenzyl)amine;N-[(4-fluorophenyl)methyl]-1-phenylmethanamine;O3G;n-benzyl-4-fluorobenzylamine;Oprea1_619682;SCHEMBL1038941;DTXSID50354843;SXZSRGKJZKOZRP-UHFFFAOYSA-N;HMS1686P04;benzyl[(4-fluorophenyl)methyl]amine;MFCD00716882;STL119880;AKOS000227349;SB78758;FT-0640291;EN300-32608;W18469;A830483;SR-01000363762;SR-01000363762-1;Z57329001

Chemical Property of n-Benzyl-1-(4-fluorophenyl)methanamine

Chemical Property:

• Vapor Pressure: 0.000637mmHg at 25°C
• Refractive Index: 1.565
• Boiling Point: 309.5 °C at 760 mmHg
• Flash Point: 141 °C
• PSA: 12.03000
• Density: 1.098g/cm³
• LogP: 3.50640
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 215.111027613
• Heavy Atom Count: 16
• Complexity: 181

Purity/Quality:

98%min ^*data from raw suppliers

Benzyl-(4-fluorobenzyl)amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CNCC2=CC=C(C=C2)F
• Uses: It is used as pharmaceutical intermediate.

Technology Process of n-Benzyl-1-(4-fluorophenyl)methanamine

There total 20 articles about n-Benzyl-1-(4-fluorophenyl)methanamine 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: 100.0%

N-benzyl-4-fluorobenzamide (725-38-2) → N-benzyl-1-(4-fluorophenyl)methanamine (55096-88-3)

Guidance literature:

With 1,1,3,3-Tetramethyldisiloxane; [((CH₃)5C₅)IrCl((CH₃)2NC₆H₃C₅H₄N)]; trityl tetrakis(pentafluorophenyl)borate; In 1,1,2,2-tetrachloroethane; at 100 ℃; for 0.5h; chemoselective reaction; Inert atmosphere; Schlenk technique; Glovebox;

DOI:10.1002/cctc.201700400

Reference yield: 90.0%

4-fluorobenzaldehyde (459-57-4) + benzylamine (100-46-9) → N-benzyl-1-(4-fluorophenyl)methanamine (55096-88-3)

Guidance literature:

With acetic acid; 1-hydrosilatrane; at 70 ℃; for 17h; Green chemistry;

DOI:10.1002/adsc.201700079

Reference yield: 89.0%

→ N-benzyl-1-(4-fluorophenyl)methanamine (55096-88-3)

Guidance literature:

upstream raw materials:

4-Fluorobenzyl bromide

benzylamine

1-chloromethyl-4-fluorobenzene

benzaldehyde

Downstream raw materials:

trans-3-(benzyl-4-fluorobenzyl)carbamoylpropenoic acid ethyl ester

Refernces

• 1、 Antil, Neha,Kumar, Ajay,Akhtar, Naved,Newar, Rajashree,Begum, Wahida,Dwivedi, Ashutosh,Manna, Kuntal. "Aluminum Metal-Organic Framework-Ligated Single-Site Nickel(II)-Hydride for Heterogeneous Chemoselective Catalysis". . p. 3943 - 3957. Retrieved 2021/04/12.
• 2、 Singh, Ravi Pratap,Maurya, Vinay Kumar,Prasad, Lal Bahadur,Siddiqui, Kafeel Ahmad. "Three novel Cd(II) dithiocarbamate complexes: synthesis, structural diversity and fluorescence properties". . p. 2867 - 2876. Retrieved 2020/07/03.