Benzeneethanamine, 4-fluoro-, 2-(((2-(4-fluorophenyl)ethyl)amino)carbonyl)benzenesulfinate

Base Information

• Chemical Name: Benzeneethanamine, 4-fluoro-, 2-(((2-(4-fluorophenyl)ethyl)amino)carbonyl)benzenesulfinate
• CAS No.: 171359-19-6
• Molecular Formula: C23H24F2N2O3S
• Molecular Weight: 446.5101
• DSSTox Substance ID: DTXSID50169070
• Mol file: 171359-19-6.mol

Synonyms:171359-19-6;Benzeneethanamine, 4-fluoro-, 2-(((2-(4-fluorophenyl)ethyl)amino)carbonyl)benzenesulfinate;2-(4-fluorophenyl)ethanamine;2-[2-(4-fluorophenyl)ethylcarbamoyl]benzenesulfinic acid;DTXSID50169070;VBMGEZXBAVLPHT-UHFFFAOYSA-N;C15H14FNO3S.C8H10FN;LS-31189;C15-H14-F-N-O3-S.C8-H10-F-N

Chemical Property of Benzeneethanamine, 4-fluoro-, 2-(((2-(4-fluorophenyl)ethyl)amino)carbonyl)benzenesulfinate

Chemical Property:

• Vapor Pressure: 9.62E-20mmHg at 25°C
• Boiling Point: 685.7°Cat760mmHg
• Flash Point: 368.5°C
• PSA: 115.12000
• Density: g/cm³
• LogP: 5.84650
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 446.14757013
• Heavy Atom Count: 31
• Complexity: 459

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(=O)NCCC2=CC=C(C=C2)F)S(=O)O.C1=CC(=CC=C1CCN)F

Technology Process of Benzeneethanamine, 4-fluoro-, 2-(((2-(4-fluorophenyl)ethyl)amino)carbonyl)benzenesulfinate

There total 1 articles about Benzeneethanamine, 4-fluoro-, 2-(((2-(4-fluorophenyl)ethyl)amino)carbonyl)benzenesulfinate 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: 83.0%

4-fluoro-2-phenethylamine (1583-88-6) + 3H-2,1-benzoxathiolan-3-one 1-oxide (91837-36-4) → 2-(4'-fluorophenyl)ethylammonium salt of 2-(4'-fluorophenyl)ethylamide of o-sulfinobenzoic acid (171359-19-6)

Guidance literature:

In chloroform;

DOI:10.1007/BF02218953

upstream raw materials:

4-fluoro-2-phenethylamine

3H-2,1-benzoxathiolan-3-one 1-oxide