Cyclopropyl 2-fluorobenzyl ketone supplier

Name
Cyclopropyl 2-fluorobenzyl ketone
EINECS 1592732-453-0
CAS No. 150322-73-9
Article Data17
CAS DataBase
Density 1.192 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₁FO
Boiling Point 253.597 °C at 760 mmHg
Molecular Weight 178.206
Flash Point 107.942 °C
Transport Information
Appearance Pale Yellow Oil
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Cyclopropyl-2-(2-fluorophenyl)ethanone;
PSA 17.07000
LogP 2.34730

Synthetic route

: 1-(2-fluorophenyl)but-3-en-2-one

: 70775-39-2, 5367-24-8
dimethylsulfoxonium methylide

: 150322-73-9
1-cyclopropyl-2-(2-fluorophenyl)ethanone

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 4h; Temperature;	93.6%

: 4023-34-1
cyclopropanecarboxylic acid chloride

: 57486-67-6
methyl o-fluorophenylacetate

: 150322-73-9
1-cyclopropyl-2-(2-fluorophenyl)ethanone

Conditions

Conditions	Yield
With pyridine In tetrahydrofuran at 20 - 60℃; for 6h; Solvent; Reagent/catalyst; Temperature;	92%

: 584-74-7
o-fluorophenylacetic acid ethyl ester

: 4023-34-1
cyclopropanecarboxylic acid chloride

: 150322-73-9
1-cyclopropyl-2-(2-fluorophenyl)ethanone

Conditions

Conditions	Yield
With pyridine In N,N-dimethyl-formamide at 20 - 30℃; for 8h; Solvent; Reagent/catalyst; Temperature;	91.4%

: 4606-07-9
ethyl cyclopropylcarboxylate

: 451-82-1
(2-fluorophenyl)acetic acid

: 150322-73-9
1-cyclopropyl-2-(2-fluorophenyl)ethanone

Conditions

Conditions	Yield
With sodium hydride In dimethyl sulfoxide; toluene at 95 - 110℃; for 1.5h; Large scale;	88%
Stage #1: (2-fluorophenyl)acetic acid With magnesium; isopropyl bromide In tetrahydrofuran; toluene at 15 - 65℃; Stage #2: ethyl cyclopropylcarboxylate In tetrahydrofuran; toluene at 5 - 65℃;

: 17696-23-0
cyclopropanecarboxylic acid dimethylamide

: 345-35-7
2-fluorobenzyl chloride

: 150322-73-9
1-cyclopropyl-2-(2-fluorophenyl)ethanone

Conditions

Conditions	Yield
Stage #1: 2-fluorobenzyl chloride With iodine; magnesium In diethyl ether for 2h; Heating / reflux; Stage #2: cyclopropanecarboxylic acid dimethylamide In tetrahydrofuran; diethyl ether for 0.5h; Product distribution / selectivity;	79.8%
Stage #1: 2-fluorobenzyl chloride With iodine; magnesium In tert-butyl methyl ether for 2h; Heating / reflux; Stage #2: cyclopropanecarboxylic acid dimethylamide In tetrahydrofuran; tert-butyl methyl ether for 0.5h; Product distribution / selectivity;	60.9%
With iodine; magnesium In tetrahydrofuran; 2-methyltetrahydrofuran at 40 - 45℃; for 1.5h; Solvent; Concentration; Inert atmosphere;

: 946402-23-9
2-(2-fluorophenyl)-N-methoxy-N-methylacetamide

: 23719-80-4
cyclopropylmagnesium bromide

: 150322-73-9
1-cyclopropyl-2-(2-fluorophenyl)ethanone

Conditions

Conditions	Yield
In tetrahydrofuran at 45℃; for 1h; Inert atmosphere; Sealed tube;	78%
In tetrahydrofuran at 45℃; for 1h; Sealed tube; Inert atmosphere;	78%

: 446-48-0
o-fluorobenzyl bromide

: 5500-21-0
cyclopropropanecarbonitrile

: 150322-73-9
1-cyclopropyl-2-(2-fluorophenyl)ethanone

Conditions

Conditions	Yield
Stage #1: o-fluorobenzyl bromide With magnesium; methyl iodide In diethyl ether at 20℃; Stage #2: cyclopropropanecarbonitrile In diethyl ether at 20℃; Stage #3: With water; ammonium chloride In diethyl ether at 0℃; Product distribution / selectivity;	72.18%
Stage #1: o-fluorobenzyl bromide With magnesium In diethyl ether at 20℃; for 1h; Stage #2: cyclopropropanecarbonitrile In diethyl ether at 20℃; for 3.16667h; Heating / reflux; Stage #3: With water; ammonium chloride In diethyl ether; ethyl acetate Product distribution / selectivity; Saturated solution;
Stage #1: o-fluorobenzyl bromide With magnesium In diethyl ether at 25 - 30℃; for 0.5h; Stage #2: cyclopropropanecarbonitrile In diethyl ether at 25 - 30℃; for 4h; Heating / reflux; Stage #3: With water; ammonium chloride In diethyl ether Product distribution / selectivity;
Stage #1: o-fluorobenzyl bromide With iodine; magnesium In diethyl ether at 30℃; for 2.75h; Stage #2: cyclopropropanecarbonitrile In diethyl ether at 30℃; for 3h;

: 10374-28-4
cyclopropanecarboxylic acid diethylamide

: 345-35-7
2-fluorobenzyl chloride

: 150322-73-9
1-cyclopropyl-2-(2-fluorophenyl)ethanone

Conditions

Conditions	Yield
Stage #1: 2-fluorobenzyl chloride With iodine; magnesium In diethyl ether for 2h; Heating / reflux; Stage #2: cyclopropanecarboxylic acid diethylamide In tetrahydrofuran; diethyl ether for 0.5h; Product distribution / selectivity;	48.7%

: 61259-30-1
cyclopropanecarboxylic acid diisopropylamide

: 345-35-7
2-fluorobenzyl chloride

: 150322-73-9
1-cyclopropyl-2-(2-fluorophenyl)ethanone

Conditions

Conditions	Yield
Stage #1: 2-fluorobenzyl chloride With iodine; magnesium In diethyl ether for 2h; Heating / reflux; Stage #2: cyclopropanecarboxylic acid diisopropylamide In tetrahydrofuran; diethyl ether for 2h; Product distribution / selectivity;	22.5%

: 446-48-0
o-fluorobenzyl bromide

: 7439-95-4
magnesium dihydride

: 5500-21-0
cyclopropropanecarbonitrile

: 150322-73-9
1-cyclopropyl-2-(2-fluorophenyl)ethanone

Conditions

Conditions	Yield
In diethyl ether

...Expand

: 5500-21-0
cyclopropropanecarbonitrile

: 150322-73-9
1-cyclopropyl-2-(2-fluorophenyl)ethanone

Conditions

Conditions	Yield
Stage #1: o-fluorobenzyl bromide With magnesium In diethyl ether at 20℃; for 1h; Stage #2: cyclopropropanecarbonitrile In diethyl ether at 20℃; for 3.16667h; Heating / reflux;

: 4023-34-1
cyclopropanecarboxylic acid chloride

: 345-35-7
2-fluorobenzyl chloride

A: 150322-73-9
1-cyclopropyl-2-(2-fluorophenyl)ethanone

B: 95-52-3
2-Fluorotoluene

C: 446-51-5
2-fluorobenzyl alcohol

D: 1759-53-1
cyclopropanecarboxylic acid

Conditions

Conditions	Yield
Stage #1: 2-fluorobenzyl chloride With iodine; magnesium In diethyl ether for 2h; Heating / reflux; Stage #2: cyclopropanecarboxylic acid chloride In tetrahydrofuran; diethyl ether at -70 - 20℃; Stage #3: With water; ammonium chloride Product distribution / selectivity;

...Expand

: 345-35-7
2-fluorobenzyl chloride

: 5500-21-0
cyclopropropanecarbonitrile

A: 150322-73-9
1-cyclopropyl-2-(2-fluorophenyl)ethanone

B: 95-52-3
2-Fluorotoluene

C: 446-51-5
2-fluorobenzyl alcohol

Conditions

Conditions	Yield
Stage #1: 2-fluorobenzyl chloride With iodine; magnesium In diethyl ether for 2h; Heating / reflux; Stage #2: cyclopropropanecarbonitrile In tetrahydrofuran; diethyl ether at -50℃; for 0.5h; Heating / reflux; Stage #3: With hydrogenchloride; water Product distribution / selectivity;

...Expand

: 451-82-1
(2-fluorophenyl)acetic acid

: 150322-73-9
1-cyclopropyl-2-(2-fluorophenyl)ethanone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: triethylamine / dichloromethane / 0.25 h / 0 - 5 °C 1.2: 6 h / 0 - 5 °C 2.1: iodine; magnesium / tetrahydrofuran / 25 - 50 °C 2.2: 40 - 50 °C 2.3: 0.25 h / 0 - 30 °C View Scheme

: 946402-23-9
2-(2-fluorophenyl)-N-methoxy-N-methylacetamide

: 4333-56-6
cyclopropyl bromide

: 150322-73-9
1-cyclopropyl-2-(2-fluorophenyl)ethanone

Conditions

Conditions	Yield
Stage #1: cyclopropyl bromide With iodine; magnesium In tetrahydrofuran at 25 - 50℃; Stage #2: 2-(2-fluorophenyl)-N-methoxy-N-methylacetamide In tetrahydrofuran at 40 - 50℃; Stage #3: With hydrogenchloride In tetrahydrofuran; water at 0 - 30℃; for 0.25h;
Stage #1: 2-(2-fluorophenyl)-N-methoxy-N-methylacetamide; cyclopropyl bromide With iodine; magnesium In tetrahydrofuran at 40 - 50℃; Stage #2: With hydrogenchloride; water In tetrahydrofuran at 0 - 30℃; for 0.25h;

: 2868-37-3
methyl cyclopropylcarboxylate

: 451-82-1
(2-fluorophenyl)acetic acid

: 150322-73-9
1-cyclopropyl-2-(2-fluorophenyl)ethanone

Conditions

Conditions	Yield
Stage #1: (2-fluorophenyl)acetic acid With magnesium; isopropyl bromide In tetrahydrofuran; toluene at 15 - 65℃; Stage #2: methyl cyclopropylcarboxylate In tetrahydrofuran; toluene at 5 - 65℃;

: 345-35-7
2-fluorobenzyl chloride

: 150322-73-9
1-cyclopropyl-2-(2-fluorophenyl)ethanone

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: tetrabutylammomium bromide / dichloromethane; water / 25 °C 2.1: sodium hydroxide; water / 5 - 95 °C 2.2: pH 2 - 3 3.1: magnesium; isopropyl bromide / toluene; tetrahydrofuran / 15 - 65 °C 3.2: 5 - 65 °C View Scheme
Multi-step reaction with 3 steps 1.1: tetrabutylammomium bromide / dichloromethane; water / 25 °C 2.1: sodium hydroxide; water / 5 - 95 °C 2.2: pH 2 - 3 3.1: magnesium; isopropyl bromide / toluene; tetrahydrofuran / 15 - 65 °C 3.2: 5 - 65 °C View Scheme

: 326-62-5
2-fluorophenyl acetonitrile

: 150322-73-9
1-cyclopropyl-2-(2-fluorophenyl)ethanone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: sodium hydroxide; water / 5 - 95 °C 1.2: pH 2 - 3 2.1: magnesium; isopropyl bromide / toluene; tetrahydrofuran / 15 - 65 °C 2.2: 5 - 65 °C View Scheme
Multi-step reaction with 2 steps 1.1: sodium hydroxide; water / 5 - 95 °C 1.2: pH 2 - 3 2.1: magnesium; isopropyl bromide / toluene; tetrahydrofuran / 15 - 65 °C 2.2: 5 - 65 °C View Scheme

: 2-(2-fluorophenyl acetic acid)

: 150322-73-9
1-cyclopropyl-2-(2-fluorophenyl)ethanone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: triethylamine / dicyclohexyl-carbodiimide; benzotriazol-1-ol / dichloromethane / 6 h / 0 - 5 °C 2.1: iodine; magnesium / tetrahydrofuran / 40 - 50 °C 2.2: 0.25 h / 0 - 30 °C View Scheme

: 17696-23-0
cyclopropanecarboxylic acid dimethylamide

: 345-35-7
2-fluorobenzyl chloride

A: 150322-73-9
1-cyclopropyl-2-(2-fluorophenyl)ethanone

B: 349-38-2
1,2-bis(2-fluorophenyl)ethane

Conditions

Conditions	Yield
With iodine; magnesium In tetrahydrofuran; toluene at 40 - 45℃; for 1.5h; Inert atmosphere;	A n/a B 7.6 %Chromat.

...Expand

: 346656-39-1
2-(2-fluorophenyl)-5,5-dimethyl-[1,3,2]dioxaborinane

: 150322-73-9
1-cyclopropyl-2-(2-fluorophenyl)ethanone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: triethylamine; copper(II) bis(trifluoromethanesulfonate) / N,N-dimethyl acetamide / 80 h / 20 °C / Sealed tube 2: tetrahydrofuran / 1 h / 45 °C / Inert atmosphere; Sealed tube View Scheme

: 462-06-6
fluorobenzene

: 150322-73-9
1-cyclopropyl-2-(2-fluorophenyl)ethanone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: tin(IV) chloride / tetrahydrofuran / 4 h / 45 °C 2: dichloromethane / 4 h / 20 °C View Scheme

: 150322-73-9
1-cyclopropyl-2-(2-fluorophenyl)ethanone

: 204205-33-4
2-bromo-1-cyclopropyl-2-(2-fluorophenyl)ethanone

Conditions

Conditions	Yield
With iodine(I) bromide; 1-n-butyl-3-methylimidazolim bromide In tetrahydrofuran at 40℃; for 4h; Temperature; Time; Concentration;	95.3%
With bromine In methanol at 25 - 30℃; for 6h; Concentration;	94.65%
With 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione; 2,2'-azobis(isobutyronitrile) In cyclohexane at 10℃; Product distribution / selectivity; Reflux;	93.28%

: 150322-73-9
1-cyclopropyl-2-(2-fluorophenyl)ethanone

: 1646868-75-8
[2H]-cyclopropyl 2-fluorobenzyl ketone

Conditions

Conditions	Yield
With pyrrolidine; water-d2 In 1,4-dioxane at 20℃; for 12h;	90%

: 150322-73-9
1-cyclopropyl-2-(2-fluorophenyl)ethanone

: 178688-43-2
α-cyclopropylcarbonyl-2-fluorobenzyl chloride

Conditions

Conditions	Yield
With hydrogenchloride; dihydrogen peroxide In 1,4-dioxane; water at 20 - 80℃; for 2 - 72h; Product distribution / selectivity;	82.9%
With chlorine In dichloromethane at 5 - 20℃; for 5.5h; Product distribution / selectivity;	81%
With chlorine In dichloromethane at 0℃; for 5.3h;	80%

: 150322-73-9
1-cyclopropyl-2-(2-fluorophenyl)ethanone

: 104-94-9
4-methoxy-aniline

: 2759-47-9
cyclopropanecarboxylic acid (4-methoxy-phenyl)-amide

Conditions

Conditions	Yield
With 2,2,6,6-tetramethyl-piperidine; trifluorormethanesulfonic acid; oxygen In m-xylene at 130℃; under 760.051 Torr; for 6h; Sealed tube;	60%

: 150322-73-9
1-cyclopropyl-2-(2-fluorophenyl)ethanone

: 1056459-35-8
5-chloro-1-(2-fluorophenyl)-pentan-2-one

Conditions

Conditions	Yield
With hydrogenchloride; water at 100℃; for 2.5h;
With hydrogenchloride In water for 3h;

: 150322-73-9
1-cyclopropyl-2-(2-fluorophenyl)ethanone

: 150322-43-3
prasugel

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: toluene-4-sulfonic acid; 2,2'-azobis(isobutyronitrile); N-Bromosuccinimide / chloroform / 4 h / Reflux 2.1: potassium carbonate / acetonitrile / 5 h / 25 - 35 °C 3.1: lithium diisopropyl amide / tetrahydrofuran / 1 h / -78 °C 3.2: 1 h / -78 °C 3.3: 1 h / -60 - 0 °C 4.1: N-ethyl-N,N-diisopropylamine / acetonitrile / 3.33 h / 10 - 30 °C View Scheme
Multi-step reaction with 2 steps 1.1: toluene-4-sulfonic acid; 2,2'-azobis(isobutyronitrile); N-Bromosuccinimide / chloroform / 4 h / Reflux 2.1: potassium carbonate / acetonitrile / 0.5 h / 25 - 30 °C 2.2: 6 h / 25 - 30 °C 2.3: 6.5 h / 0 - 30 °C View Scheme
Multi-step reaction with 3 steps 1.1: toluene-4-sulfonic acid; 2,2'-azobis(isobutyronitrile); N-Bromosuccinimide / chloroform / 4 h / Reflux 2.1: potassium carbonate / acetonitrile / 0.5 h / 25 - 30 °C 2.2: 7 h / 25 - 30 °C 3.1: N-ethyl-N,N-diisopropylamine / acetonitrile / 3.33 h / 10 - 30 °C View Scheme

: 150322-73-9
1-cyclopropyl-2-(2-fluorophenyl)ethanone

: 150322-38-6
5-(2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl)-5,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2(4H)-one

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: toluene-4-sulfonic acid; 2,2'-azobis(isobutyronitrile); N-Bromosuccinimide / chloroform / 4 h / Reflux 2.1: potassium carbonate / acetonitrile / 5 h / 25 - 35 °C 3.1: lithium diisopropyl amide / tetrahydrofuran / 1 h / -78 °C 3.2: 1 h / -78 °C 3.3: 1 h / -60 - 0 °C View Scheme
Multi-step reaction with 2 steps 1.1: toluene-4-sulfonic acid; 2,2'-azobis(isobutyronitrile); N-Bromosuccinimide / chloroform / 4 h / Reflux 2.1: potassium carbonate / acetonitrile / 0.5 h / 25 - 30 °C 2.2: 7 h / 25 - 30 °C View Scheme
Multi-step reaction with 2 steps 1.1: toluene-4-sulfonic acid; 2,2'-azobis(isobutyronitrile); N-Bromosuccinimide / chloroform / 4 h / Reflux 2.1: potassium carbonate / acetonitrile / 0.5 h / 25 - 30 °C 2.2: 7 h / 25 - 30 °C View Scheme

: 150322-73-9
1-cyclopropyl-2-(2-fluorophenyl)ethanone

: 5-(α-cyclopropylcarbonyl-2-fluorobenzyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: toluene-4-sulfonic acid; 2,2'-azobis(isobutyronitrile); N-Bromosuccinimide / chloroform / 4 h / Reflux 2: potassium carbonate / acetonitrile / 5 h / 25 - 35 °C View Scheme
Multi-step reaction with 2 steps 1: 2,2'-azobis(isobutyronitrile); N-Bromosuccinimide / toluene-4-sulfonic acid / dichloromethane / 4.75 h / 0 - 5 °C / Reflux 2: potassium carbonate / acetonitrile / 5 h / 25 - 35 °C View Scheme

: 150322-73-9
1-cyclopropyl-2-(2-fluorophenyl)ethanone

: CS-747 hydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1.1: toluene-4-sulfonic acid; 2,2'-azobis(isobutyronitrile); N-Bromosuccinimide / chloroform / 4 h / Reflux 2.1: potassium carbonate / acetonitrile / 5 h / 25 - 35 °C 3.1: lithium diisopropyl amide / tetrahydrofuran / 1 h / -78 °C 3.2: 1 h / -78 °C 3.3: 1 h / -60 - 0 °C 4.1: N-ethyl-N,N-diisopropylamine / acetonitrile / 3.33 h / 10 - 30 °C 5.1: hydrogenchloride / ethyl acetate; acetone / 0.75 h / 25 - 55 °C / Inert atmosphere View Scheme
Multi-step reaction with 3 steps 1.1: toluene-4-sulfonic acid; 2,2'-azobis(isobutyronitrile); N-Bromosuccinimide / chloroform / 4 h / Reflux 2.1: potassium carbonate / acetonitrile / 0.5 h / 25 - 30 °C 2.2: 6 h / 25 - 30 °C 2.3: 6.5 h / 0 - 30 °C 3.1: hydrogenchloride / ethyl acetate; acetone / 0.75 h / 25 - 55 °C / Inert atmosphere View Scheme
Multi-step reaction with 4 steps 1.1: toluene-4-sulfonic acid; 2,2'-azobis(isobutyronitrile); N-Bromosuccinimide / chloroform / 4 h / Reflux 2.1: potassium carbonate / acetonitrile / 0.5 h / 25 - 30 °C 2.2: 7 h / 25 - 30 °C 3.1: N-ethyl-N,N-diisopropylamine / acetonitrile / 3.33 h / 10 - 30 °C 4.1: hydrogenchloride / ethyl acetate; acetone / 0.75 h / 25 - 55 °C / Inert atmosphere View Scheme

: 150322-73-9
1-cyclopropyl-2-(2-fluorophenyl)ethanone

: 1243654-57-0
5-(α-cyclopropylcarbonyl-2-fluorobenzyl)-2-oxo-2,4,5,6,7,7a-hexahydrothieno[3,2-c]pyridine hydrobromide

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: toluene-4-sulfonic acid; 2,2'-azobis(isobutyronitrile); N-Bromosuccinimide / chloroform / 4 h / Reflux 2.1: potassium carbonate / acetonitrile / 5 h / 25 - 35 °C 3.1: lithium diisopropyl amide / tetrahydrofuran / 1 h / -78 °C 3.2: 1 h / -78 °C 3.3: 1 h / -60 - 0 °C 4.1: hydrogen bromide / water; acetone / 1 h / 0 - 5 °C View Scheme
Multi-step reaction with 2 steps 1.1: toluene-4-sulfonic acid; 2,2'-azobis(isobutyronitrile); N-Bromosuccinimide / chloroform / 4 h / Reflux 2.1: potassium carbonate / acetonitrile / 0.5 h / 25 - 30 °C 2.2: 7 h / 25 - 30 °C 2.3: 8 h / 0 - 25 °C View Scheme
Multi-step reaction with 3 steps 1.1: toluene-4-sulfonic acid; 2,2'-azobis(isobutyronitrile); N-Bromosuccinimide / chloroform / 4 h / Reflux 2.1: potassium carbonate / acetonitrile / 0.5 h / 25 - 30 °C 2.2: 7 h / 25 - 30 °C 3.1: hydrogen bromide / water; acetone / 1 h / 0 - 5 °C View Scheme

: 150322-73-9
1-cyclopropyl-2-(2-fluorophenyl)ethanone

: 150322-39-7
5-(α-cyclopropylcarbonyl-2-fluorobenzyl)-2-oxo-2,4,5,6,7,7a-hexahydro thieno[3,2-c] pyridine hydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1.1: toluene-4-sulfonic acid; 2,2'-azobis(isobutyronitrile); N-Bromosuccinimide / chloroform / 4 h / Reflux 2.1: potassium carbonate / acetonitrile / 5 h / 25 - 35 °C 3.1: lithium diisopropyl amide / tetrahydrofuran / 1 h / -78 °C 3.2: 1 h / -78 °C 3.3: 1 h / -60 - 0 °C 4.1: hydrogen bromide / water; acetone / 1 h / 0 - 5 °C 5.1: ammonia / dichloromethane; water / 0 - 30 °C 5.2: 1 h / 25 - 30 °C View Scheme
Multi-step reaction with 2 steps 1.1: toluene-4-sulfonic acid; 2,2'-azobis(isobutyronitrile); N-Bromosuccinimide / chloroform / 4 h / Reflux 2.1: potassium carbonate / acetonitrile / 0.5 h / 25 - 30 °C 2.2: 7 h / 25 - 30 °C 2.3: 1 h / 25 - 30 °C View Scheme
Multi-step reaction with 3 steps 1.1: toluene-4-sulfonic acid; 2,2'-azobis(isobutyronitrile); N-Bromosuccinimide / chloroform / 4 h / Reflux 2.1: potassium carbonate / acetonitrile / 0.5 h / 25 - 30 °C 2.2: 7 h / 25 - 30 °C 2.3: 8 h / 0 - 25 °C 3.1: ammonia / dichloromethane; water / 0 - 30 °C 3.2: 1 h / 25 - 30 °C View Scheme

: 150322-73-9
1-cyclopropyl-2-(2-fluorophenyl)ethanone

: 1287752-37-7
1-cyclopropyl-2-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-2-(2-fluorophenyl)ethanone hydrobromide salt

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: toluene-4-sulfonic acid; 2,2'-azobis(isobutyronitrile); N-Bromosuccinimide / chloroform / 4 h / Reflux 2: potassium carbonate / acetonitrile / 5 h / 25 - 35 °C 3: hydrogen bromide / water; acetone / 5 h / 0 - 30 °C View Scheme
Multi-step reaction with 3 steps 1: 2,2'-azobis(isobutyronitrile); N-Bromosuccinimide / toluene-4-sulfonic acid / dichloromethane / 4.75 h / 0 - 5 °C / Reflux 2: potassium carbonate / acetonitrile / 5 h / 25 - 35 °C 3: hydrogen bromide / water; acetone / 5.25 h / 0 - 30 °C View Scheme

: 150322-73-9
1-cyclopropyl-2-(2-fluorophenyl)ethanone

: 952340-38-4
2-(tert-butyldimethylsilyloxy)-5-(α-cyclopropylformyl-2-fluorobenzyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: dibenzoyl peroxide; N-Bromosuccinimide / ethyl acetate / 25 - 60 °C 2: triethylamine / dichloromethane / 20 °C / Inert atmosphere View Scheme

Cyclopropyl 2-fluorobenzyl ketone Specification

The CAS register number of Cyclopropyl 2-fluorobenzyl ketone is 150322-73-9. It also can be called as Ethanone,1-cyclopropyl-2-(2-fluorophenyl)- and the IUPAC name about this chemical is 1-cyclopropyl-2-(2-fluorophenyl)ethanone. The molecular formula about this chemical is C₁₁H₁₁FO and the molecular weight is 178.20. It belongs to the Drug Intermediates.

Physical properties about Cyclopropyl 2-fluorobenzyl ketone are: (1)ACD/LogP: 2.22; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 28; (5)ACD/BCF (pH 7.4): 28; (6)ACD/KOC (pH 5.5): 383; (7)ACD/KOC (pH 7.4): 383; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 17.07Å²; (11)Index of Refraction: 1.549; (12)Molar Refractivity: 47.522 cm³; (13)Molar Volume: 149.401 cm³; (14)Polarizability: 18.839x10^-24cm³; (15)Surface Tension: 44.071 dyne/cm; (16)Enthalpy of Vaporization: 49.099 kJ/mol; (17)Boiling Point: 253.597 °C at 760 mmHg; (18)Vapour Pressure: 0.018 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(c(c1)CC(=O)C2CC2)F
(2)InChI: InChI=1/C11H11FO/c12-10-4-2-1-3-9(10)7-11(13)8-5-6-8/h1-4,8H,5-7H2
(3)InChIKey: DWBGTJUQWKWYGB-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C11H11FO/c12-10-4-2-1-3-9(10)7-11(13)8-5-6-8/h1-4,8H,5-7H2
(5)Std. InChIKey: DWBGTJUQWKWYGB-UHFFFAOYSA-N

Product Name

Cyclopropyl 2-fluorobenzyl ketone

Synthetic route

Cyclopropyl 2-fluorobenzyl ketone Specification

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