1-(2,4-Dichlorophenyl)-2,2,2-trifluoroethanone

Base Information

• Chemical Name: 1-(2,4-Dichlorophenyl)-2,2,2-trifluoroethanone
• CAS No.: 92736-81-7
• Molecular Formula: C8H3Cl2F3O
• Molecular Weight: 243.012
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID60541328
• Wikidata: Q72468431
• Mol file: 92736-81-7.mol

Synonyms:92736-81-7;1-(2,4-Dichlorophenyl)-2,2,2-trifluoroethanone;2',4'-DICHLORO-2,2,2-TRIFLUOROACETOPHENONE;1-(2,4-DICHLOROPHENYL)-2,2,2-TRIFLUOROETHAN-1-ONE;MFCD02260844;1-(2,4-Dichloro-phenyl)-2,2,2-trifluoro-ethanone;Ethanone, 1-(2,4-dichlorophenyl)-2,2,2-trifluoro-;SCHEMBL10580560;DTXSID60541328;MKBRURHQKRNOCM-UHFFFAOYSA-N;AKOS015899767;AB11775;AS-67692;N10433;EN300-1704122;A859998;J-502905;Z1269183299

Chemical Property of 1-(2,4-Dichlorophenyl)-2,2,2-trifluoroethanone

Chemical Property:

• Boiling Point: 229.6oC at 760 mmHg
• Flash Point: 92.6oC
• PSA: 17.07000
• Density: 1.506g/cm3
• LogP: 3.73840
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 241.9513046
• Heavy Atom Count: 14
• Complexity: 229

Purity/Quality:

98%min ^*data from raw suppliers

2',4'-Dichloro-2,2,2-trifluoroacetophenone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)Cl)C(=O)C(F)(F)F

Technology Process of 1-(2,4-Dichlorophenyl)-2,2,2-trifluoroethanone

There total 3 articles about 1-(2,4-Dichlorophenyl)-2,2,2-trifluoroethanone 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: 98.0%

1-(2,4-dichlorophenyl)-2,2,2-trifluoroethanol (1194760-60-5) → 2’2’2’-trifluoro-2,4-dichloroacetophenone (92736-81-7)

Guidance literature:

With 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In ethyl acetate; for 30h; Reflux;

DOI:10.1016/j.tetlet.2013.06.045

Reference yield:

2,4-dichloro-1-iodo-benzene (29898-32-6) + 2,4-dichlorophenyl magnesium iodide (105459-84-5) → 2’2’2’-trifluoro-2,4-dichloroacetophenone (92736-81-7)

Guidance literature:

With hydrogenchloride; magnesium; trifluoroacetic anhydride; In water;

Reference yield:

2,4-dichlorobenzaldeyhde (874-42-0) → 2’2’2’-trifluoro-2,4-dichloroacetophenone (92736-81-7)

Guidance literature:

Multi-step reaction with 2 steps

1.1: potassium carbonate / N,N-dimethyl-formamide / 4 h / 20 °C

1.2: 4 h / Acidic conditions

2.1: 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione / ethyl acetate / 30 h / Reflux

With potassium carbonate; 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In ethyl acetate; N,N-dimethyl-formamide;

DOI:10.1016/j.tetlet.2013.06.045

upstream raw materials:

2,4-dichloro-1-iodo-benzene

2,4-dichlorophenyl magnesium iodide

2,4-dichlorobenzaldeyhde

1-(2,4-dichlorophenyl)-2,2,2-trifluoroethanol

Refernces

• 1、 -. "Antifungal 1-aryl-1-fluoroalkyl-2-(1H-1,2,4-triazol-1-yl)ethanols". . . Retrieved 2008/06/13.