• Name

  2'-Chloro-4',5'-difluoroacetophenone

• EINECS
• CAS No. 121872-94-4
• Article Data3
• CAS DataBase
• Density 1.348 g/cm³
• Solubility
• Melting Point
• Formula C₈H₅ClF₂O
• Boiling Point 211.409 °C at 760 mmHg
• Molecular Weight 190.577
• Flash Point 81.657 °C
• Transport Information
• Appearance clear, yellow liquid
• Safety
• Risk Codes
• Molecular Structure
• Hazard Symbols Xi
• Synonyms 2-CHLORO-4,5-DIFLUOROACETOPHENONE;2-CHLORO-4,5-DIFLUOROACETOPHENONE;2-CHLORO-4,5-DIFLUOROPHENYLACETOPHENONE;2-chloro-4,5-difluoroacetophenonedup 21889;2-CHLORO-4,5-DIFLUOROPHENYLACETONE;2'-Chloro-4',5'-difluoroacetophenone;Ethanone, 1-(2-chloro-4,5-difluorophenyl)-;2-Chloro-4,5-difluroacetophenone
• PSA 17.07000
• LogP 2.82080

Synthetic route

696-02-6

4-chloro-1,2-difluorobenzene

75-36-5

acetyl chloride

121872-94-4

2'-chloro-4',5'-difluoroacetophenone

Conditions

Conditions	Yield
aluminium trichloride	82%
With aluminium trichloride Acylation;	80%
With aluminium trichloride at 60℃; for 9h;	75%

345-18-6

2-fluoro-5-chloronitrobenzene

121872-94-4

2'-chloro-4',5'-difluoroacetophenone

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: H2 / 5 percent Pt/C / 1,2-dimethoxy-ethane / 24 h / 2585.74 Torr 2: BF3*Et2O; t-BuONO / 1,2-dimethoxy-ethane / 1 h / -5 °C 3: 49 percent / 0.5 h / 170 °C 4: 80 percent / AlCl3 View Scheme

2106-05-0

5-chloro-2-fluoroaniline

121872-94-4

2'-chloro-4',5'-difluoroacetophenone

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: BF3*Et2O; t-BuONO / 1,2-dimethoxy-ethane / 1 h / -5 °C 2: 49 percent / 0.5 h / 170 °C 3: 80 percent / AlCl3 View Scheme

89-61-2

2,5-dichloronitrobenzene

potassium-compound of 1-<4-hydroxy-phenyl>-ethanone

potassium-compound of 1-<4-hydroxy-phenyl>-ethanone

121872-94-4

2'-chloro-4',5'-difluoroacetophenone

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: 52 percent / KF; 18-crown-6 / tetrahydrothiophene 1,1-dioxide / 32 h / 180 °C 2: H2 / 5 percent Pt/C / 1,2-dimethoxy-ethane / 24 h / 2585.74 Torr 3: BF3*Et2O; t-BuONO / 1,2-dimethoxy-ethane / 1 h / -5 °C 4: 49 percent / 0.5 h / 170 °C 5: 80 percent / AlCl3 View Scheme

2-Fluoro-5-chlorophenyldiazonium tetrafluoroborate

121872-94-4

2'-chloro-4',5'-difluoroacetophenone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 49 percent / 0.5 h / 170 °C 2: 80 percent / AlCl3 View Scheme

367-11-3

ortho-difluorobenzene

121872-94-4

2'-chloro-4',5'-difluoroacetophenone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 90 percent / FeCl3, Cl2 / 3 h / 50 °C 2: 75 percent / AlCl3 / 9 h / 60 °C View Scheme

616-38-6

carbonic acid dimethyl ester

121872-94-4

2'-chloro-4',5'-difluoroacetophenone

methyl 3-(2-chloro-5-fluoro-4-methoxyphenyl)-3-oxopropanoate

Conditions

Conditions	Yield
Stage #1: carbonic acid dimethyl ester With sodium hydride In tetrahydrofuran for 0.0833333h; Reflux; Stage #2: 2'-chloro-4',5'-difluoroacetophenone In tetrahydrofuran for 10h; Claisen Condensation; Reflux;	96%

121872-94-4

2'-chloro-4',5'-difluoroacetophenone

110877-64-0

2-chloro-4,5-difluorobenzoic acid

Conditions

Conditions	Yield
With sodium hypochlorite Oxidation;	90%
With hydrogenchloride; sodium hypochlorite In dichloromethane	85.1%
With hydrogenchloride; sodium hypochlorite In dichloromethane	85.1%
With sodium hypochlorite for 6h; Heating;	80%
With hydrogenchloride; sodium hydroxide; sodium hypobromide; bromine; sodium hydrogensulfite In 1,4-dioxane; dichloromethane; water

623-49-4

ethyl cyanoformate

121872-94-4

2'-chloro-4',5'-difluoroacetophenone

121872-97-7

2-chloro-4,5-difluoro-β-oxobenzenepropanoic acid ethyl ester

Conditions

Conditions	Yield
With hydrogenchloride; n-butyllithium; diisopropylamine In tetrahydrofuran; hexane	658 mg (61%)

121872-94-4

2'-chloro-4',5'-difluoroacetophenone

4-(2-chloro-5-fluoro-4-methoxyphenyl)-7-(diethylamino)-2H-chromen-2-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: sodium hydride / tetrahydrofuran / 0.08 h / Reflux 1.2: 10 h / Reflux 2.1: CoCl2(pyridine)2 / neat (no solvent) / 24 h / 110 °C / Inert atmosphere View Scheme

121872-94-4

2'-chloro-4',5'-difluoroacetophenone

7-(diethylamino)-4-(5-fluoro-4-methoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-2H-chromen-2-one

Conditions

Conditions

Yield

Multi-step reaction with 3 steps 1.1: sodium hydride / tetrahydrofuran / 0.08 h / Reflux 1.2: 10 h / Reflux 2.1: CoCl2(pyridine)2 / neat (no solvent) / 24 h / 110 °C / Inert atmosphere 3.1: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; 1,1'-bis-(diphenylphosphino)ferrocene; potassium acetate / dichloromethane; tetrahydrofuran / 48 h / 105 °C / Sealed tube; Inert atmosphere View Scheme

121872-94-4

2'-chloro-4',5'-difluoroacetophenone

7-(diethylamino)-4-(5-fluoro-4-methoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-2-oxo-2H-chromene-3-carbaldehyde

Conditions

Conditions

Yield

Multi-step reaction with 4 steps 1.1: sodium hydride / tetrahydrofuran / 0.08 h / Reflux 1.2: 10 h / Reflux 2.1: CoCl2(pyridine)2 / neat (no solvent) / 24 h / 110 °C / Inert atmosphere 3.1: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; 1,1'-bis-(diphenylphosphino)ferrocene; potassium acetate / dichloromethane; tetrahydrofuran / 48 h / 105 °C / Sealed tube; Inert atmosphere 4.1: trichlorophosphate / 0.75 h / 0 °C / Inert atmosphere 4.2: 20.5 h / 0 - 20 °C / Inert atmosphere View Scheme

121872-94-4

2'-chloro-4',5'-difluoroacetophenone

C8H3ClF2O2

Conditions

Conditions	Yield
With selenium(IV) oxide In 1,4-dioxane; water for 4h; Reflux;

121872-94-4

2'-chloro-4',5'-difluoroacetophenone

(2-chloro-4,5-difluorophenyl)(9H-pyrido[3,4-b]indol-1 yl)methanone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: selenium(IV) oxide / 1,4-dioxane; water / 4 h / Reflux 2: palladium 10% on activated carbon / acetic acid / 3 h / Reflux View Scheme

121872-94-4

2'-chloro-4',5'-difluoroacetophenone

4,5-difluoro fascaplysin

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: selenium(IV) oxide / 1,4-dioxane; water / 4 h / Reflux 2: palladium 10% on activated carbon / acetic acid / 3 h / Reflux 3: 220 °C View Scheme

60-34-4

methylhydrazine

121872-94-4

2'-chloro-4',5'-difluoroacetophenone

C9H9ClF2N2

Conditions

Conditions	Yield
With magnesium sulfate In dichloromethane at 20℃;

121872-94-4

2'-chloro-4',5'-difluoroacetophenone

(E)-3-((2-(1-(2-chloro-4,5-difluorophenyl)ethylidene)-1-methylhydrazineyl)sulfonyl)-N,N-dimethyl-1H-1,2,4-triazole-1-sulfonamide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: magnesium sulfate / dichloromethane / 20 °C 2: pyridine / tetrahydrofuran / 0 - 20 °C View Scheme

2'-Chloro-4',5'-difluoroacetophenone Chemical Properties

2'-Chloro-4',5'-difluoroacetophenone Safety Profile

2'-Chloro-4',5'-difluoroacetophenone Specification