2'-Amino-5'-chloro-4'-fluoroacetophenone

Base Information

• Chemical Name: 2'-Amino-5'-chloro-4'-fluoroacetophenone
• CAS No.: 937816-85-8
• Molecular Formula: C8H7ClFNO
• Molecular Weight: 187.6
• Hs Code.: 2922390090
• European Community (EC) Number: 968-847-7
• DSSTox Substance ID: DTXSID20585309
• Wikidata: Q82477226
• Mol file: 937816-85-8.mol

Synonyms:937816-85-8;2'-Amino-5'-chloro-4'-fluoroacetophenone;1-(2-amino-5-chloro-4-fluorophenyl)ethanone;Ethanone, 1-(2-amino-5-chloro-4-fluorophenyl)-;1-(2-Amino-5-chloro-4-fluorophenyl)ethan-1-one;MFCD11113354;2 inverted exclamation mark -Amino-5 inverted exclamation mark -chloro-4 inverted exclamation mark -fluoroacetophenone;1-(2-Amino-5-chloro-4-fluoro-phenyl)-ethanone;DTXSID20585309;AMY21151;AC1207;AKOS006306170;CS-11910;SY032979;1-(2-Amino-5-chloro-4-fluoro-phenyl)ethanone;EN300-672908

Chemical Property of 2'-Amino-5'-chloro-4'-fluoroacetophenone

Chemical Property:

• Vapor Pressure: 0.000239mmHg at 25°C
• Boiling Point: 324.8°C at 760 mmHg
• Flash Point: 150.3°C
• PSA: 43.09000
• Density: 1.345g/cm³
• LogP: 2.84510
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 187.0200197
• Heavy Atom Count: 12
• Complexity: 188

Purity/Quality:

99% ^*data from raw suppliers

1-(2-Amino-5-chloro-4-fluorophenyl)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC(=C(C=C1N)F)Cl

Technology Process of 2'-Amino-5'-chloro-4'-fluoroacetophenone

There total 1 articles about 2'-Amino-5'-chloro-4'-fluoroacetophenone 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-chloro-3-fluoroaniline (367-22-6) + acetonitrile (75-05-8,26809-02-9) → 1-(2-amino-5-chloro-4-fluorophenyl)ethanone (937816-85-8)

Guidance literature:

4-chloro-3-fluoroaniline; acetonitrile; With boron trichloride; In n-heptane;

With aluminium trichloride; In n-heptane; Heating;

With hydrogenchloride; In n-heptane; Further stages.; Heating;

DOI:10.1021/jm061428x

Reference yield:

1-(2-amino-5-chloro-4-fluorophenyl)ethanone (937816-85-8) + 2-(2-bromoacetylamino)benzoic acid methyl ester (5946-43-0) → 2-[2-(2-acetyl-4-chloro-5-fluorophenylamino)acetylamino]benzoic acid methyl ester

Guidance literature:

With tetra-(n-butyl)ammonium iodide; N-ethyl-N,N-diisopropylamine; In toluene; at 90 ℃;

DOI:10.1021/jm061428x

Reference yield:

1-(2-amino-5-chloro-4-fluorophenyl)ethanone (937816-85-8) → C17H14ClFN2O4

Guidance literature:

Multi-step reaction with 2 steps

1: DIPEA; tetrabutylammonium iodide / toluene / 90 °C

2: aq. NaOH / ethanol; tetrahydrofuran / 20 °C

With sodium hydroxide; tetra-(n-butyl)ammonium iodide; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; ethanol; toluene;

DOI:10.1021/jm061428x

upstream raw materials:

4-chloro-3-fluoroaniline

acetonitrile

Refernces