(5-Chloro-2-((2,2,2-trifluoroethyl)amino)phenyl) 2-fluorophenyl ketone

Base Information

• Chemical Name: (5-Chloro-2-((2,2,2-trifluoroethyl)amino)phenyl) 2-fluorophenyl ketone
• CAS No.: 50939-39-4
• Molecular Formula: C15H10 Cl F4 N O
• Molecular Weight: 331.697
• Hs Code.: 2922399090
• European Community (EC) Number: 256-864-6
• DSSTox Substance ID: DTXSID70198968
• Nikkaji Number: J261.596G
• Wikidata: Q83071850
• Mol file: 50939-39-4.mol

Synonyms:50939-39-4;EINECS 256-864-6;(5-Chloro-2-((2,2,2-trifluoroethyl)amino)phenyl) 2-fluorophenyl ketone;[5-Chloro-2-[(2,2,2-trifluoroethyl)amino]phenyl] 2-fluorophenyl ketone;C15H10ClF4NO;DTXSID70198968;C15-H10-Cl-F4-N-O;Quazepam + M (oxo-), hydrolysis;5-chloro-2'-fluoro-2-(2,2,2-trifluoroethyl-amino)benzophenone;[5-Chloro-2-[(2,2,2-trifluoroethyl)amino]phenyl](2-fluorophenyl)methanone;[5-Chloro-2-[(2,2,2-trifluoroethyl)amino]phenyl]2-fluorophenyl ketone;Methanone, (5-chloro-2-((2,2,2-trifluoroethyl)amino)phenyl)(2-fluorophenyl)-

Chemical Property of (5-Chloro-2-((2,2,2-trifluoroethyl)amino)phenyl) 2-fluorophenyl ketone

Chemical Property:

• Vapor Pressure: 1.09E-08mmHg at 25°C
• Boiling Point: 461.2°C at 760 mmHg
• Flash Point: 232.7°C
• PSA: 29.10000
• Density: 1.405g/cm³
• LogP: 4.75730
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 331.0387043
• Heavy Atom Count: 22
• Complexity: 390

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(=O)C2=C(C=CC(=C2)Cl)NCC(F)(F)F)F

Technology Process of (5-Chloro-2-((2,2,2-trifluoroethyl)amino)phenyl) 2-fluorophenyl ketone

There total 3 articles about (5-Chloro-2-((2,2,2-trifluoroethyl)amino)phenyl) 2-fluorophenyl ketone 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: 50.0%

[3H]-2-Oxoquazepam (49606-44-2) → 5-chloro-2'-fluoro-2-(N-(2,2,2-trifluoroethyl)amino)benzophenon (50939-39-4)

Guidance literature:

With sulfuric acid; In acetonitrile; at 100 ℃; for 2h;

DOI:10.1002/jps.2600830114

Reference yield:

2-(N-2,2,2-trifluoroethyl)amino-5-chloro-α-(2'-fluorophenyl)benzylideneglycine → 5-chloro-2'-fluoro-2-(N-(2,2,2-trifluoroethyl)amino)benzophenon (50939-39-4)

Guidance literature:

With sulfuric acid; In water; acetonitrile; at 50 ℃; for 0.5h; Yield given;

DOI:10.1002/jps.2600830114

Reference yield:

2,2,2-trifluoroethyltrichloromethanesulfonate (23199-56-6) + 2-amino-5-chloro-2'-fluorobenzophenone (784-38-3) → 5-chloro-2'-fluoro-2-(N-(2,2,2-trifluoroethyl)amino)benzophenon (50939-39-4)

Guidance literature:

DOI:10.1021/jm00270a008

upstream raw materials:

2,2,2-trifluoroethyltrichloromethanesulfonate

2-amino-5-chloro-2'-fluorobenzophenone

[3H]-2-Oxoquazepam

Refernces