3',5'-Dichloro-2,2,2-trifluoroacetophenone

Base Information

• Chemical Name: 3',5'-Dichloro-2,2,2-trifluoroacetophenone
• CAS No.: 130336-16-2
• Molecular Formula: C8H3Cl2F3O
• Molecular Weight: 243.012
• Hs Code.: 2914700090
• European Community (EC) Number: 675-511-0
• DSSTox Substance ID: DTXSID20374230
• Nikkaji Number: J935.754H
• Wikidata: Q72468438
• Mol file: 130336-16-2.mol

Synonyms:130336-16-2;1-(3,5-dichlorophenyl)-2,2,2-trifluoroethanone;3',5'-Dichloro-2,2,2-trifluoroacetophenone;1-(3,5-DICHLOROPHENYL)-2,2,2-TRIFLUOROETHAN-1-ONE;1-(3,5-dichloro-phenyl)-2,2,2-trifluoro-ethanone;3,5-Dichloro-2',2',2'-trifluoroacetophenone;MFCD01319996;EC 675-511-0;SCHEMBL44147;AMY8621;DTXSID20374230;BCP06901;AKOS005259344;AB08949;AC-28649;DS-18064;CS-0035131;D5113;EN300-268255;1-(3,5-dichlorophenyl)-2,2,2-trifluro-ethanone;A806068;1-(3,5-Dichloro-phenyl)-2,2,2-trifluor-ethanone;1-(3,5-Dichloro-phenyl)-2,2,2-trifluoroethanone;1-(3,5-dichlorophenyl)-2,2,2-trifluoro-ethanone;J-005796;alpha,alpha,alpha-Trifluoro-3',5'-dichloroacetophenone

Chemical Property of 3',5'-Dichloro-2,2,2-trifluoroacetophenone

Chemical Property:

• Vapor Pressure: 0.00942mmHg at 25°C
• Refractive Index: 1.488
• Boiling Point: 265 °C at 760 mmHg
• Flash Point: 114 °C
• PSA: 17.07000
• Density: 1.506 g/cm³
• LogP: 3.73840
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Acetonitrile (Slightly), Chloroform (Slightly), Methanol (Slightly)
• 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: 219

Purity/Quality:

99.9% ^*data from raw suppliers

3'',5''-Dichloro-2,2,2-trifluoroacetophenone ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1Cl)Cl)C(=O)C(F)(F)F
• Uses: 3'',5''-Dichloro-2,2,2-trifluoroacetophenone is a reagent used for enantioselective preparation of benzazephinoindoles bearing trifluoromethylated quaternary stereocenters catalyzed by chiral spirocyclic phosphoric acids

Technology Process of 3',5'-Dichloro-2,2,2-trifluoroacetophenone

There total 29 articles about 3',5'-Dichloro-2,2,2-trifluoroacetophenone 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: 86.5%

1,3,5-trichlorobenzene (108-70-3,63697-19-8) + N,N-dimethyl-2,2,2-trifluoroacetamide (1547-87-1) → 3,5-dichloro-2,2,2-trifluoroacetophenone (130336-16-2)

Guidance literature:

1,3,5-trichlorobenzene; With magnesium; In tetrahydrofuran; ethylene dibromide; at 20 - 40 ℃; for 3h;

N,N-dimethyl-2,2,2-trifluoroacetamide; In tetrahydrofuran; ethylene dibromide; at 20 ℃; for 1.33333h; Solvent; Temperature;

Reference yield: 84.1%

N,N-dimethyl-2,2,2-trifluoroacetamide (1547-87-1) + 1-bromo-3,5-dichlorobenzene (19752-55-7) → 3,5-dichloro-2,2,2-trifluoroacetophenone (130336-16-2)

Guidance literature:

1-bromo-3,5-dichlorobenzene; With magnesium; In tetrahydrofuran; ethylene dibromide; at 20 - 40 ℃; for 3h;

N,N-dimethyl-2,2,2-trifluoroacetamide; In tetrahydrofuran; ethylene dibromide; at 20 ℃; for 1.33333h;

Reference yield: 83.1%

N,N-diethyl-2,2,2-trifluoroacetamide (360-92-9) + 1-bromo-3,5-dichlorobenzene (19752-55-7) → 3,5-dichloro-2,2,2-trifluoroacetophenone (130336-16-2)

Guidance literature:

1-bromo-3,5-dichlorobenzene; With magnesium; In tetrahydrofuran; ethylene dibromide; at 20 - 40 ℃; for 3h;

N,N-diethyl-2,2,2-trifluoroacetamide; In tetrahydrofuran; ethylene dibromide; at 20 ℃; for 1.33333h;

upstream raw materials:

1-bromo-3,5-dichlorobenzene

trifluoroacetic anhydride

1-(3,5-dichlorophenyl)-2,2,2-trifluoro-1-trimethylsilyloxy-1-methoxyethane

N-methoxy-N-methyltrifluoroacetamide

Downstream raw materials:

1-(3,5-dichloro-phenyl)-2,2,2-trifluoro-1-(4-methoxy-phenyl)-ethanol

1-(4-bromo-3-methylphenyl)-3-(3,5-dichlorophenyl)-3-hydroxy-4,4,4-trifluorobutane-1-one

(Z)-1-(4-bromophenyl)-3-(3,5-dichlorophenyl)-4,4,4-trifluoro-2-butene-1-one

Methyl 4-(3-(3,5-dichlorophenyl)-4,4,4-trifluoro-2-butenoyl) benzoate

Refernces

• 1、 -. "Preparation method of trifluoroacetophenone derivative". Paragraph 0037; 0040-0041; 0046; 0048; 0052; 0066-0075; 0079. . Retrieved 2021/10/05.
• 2、 -. "Synthesis method of 3', 5'-dichloro-2, 2, 2-trifluoroacetophenone". Paragraph 0092. . Retrieved 2020/12/15.