3-Chlorophenylacetone supplier

Name
3-CHLOROPHENYLACETONE
EINECS
CAS No. 14123-60-5
Article Data29
CAS DataBase
Density 1.141 g/cm³
Solubility
Melting Point
Formula C₉H₉ClO
Boiling Point 236.5 °C at 760 mmHg
Molecular Weight 168.623
Flash Point 116.3 °C
Transport Information
Appearance yellow clear liquid
Safety 24/25
Risk Codes 22-52
Molecular Structure
Hazard Symbols Xn
Synonyms 2-Propanone,(m-chlorophenyl)- (6CI,7CI);2-Propanone, 1-(m-chlorophenyl)- (8CI);1-(5-Chlorophenyl)propan-2-one;1-(m-Chlorophenyl)-2-propanone;
PSA 17.07000
LogP 2.47150

Synthetic route

: 108-22-5
Isopropenyl acetate

: 108-42-9
3-chloro-aniline

: 14123-60-5
3-chlorophenylacetone

Conditions

Conditions	Yield
Stage #1: 3-chloro-aniline With tetrafluoroboric acid; cis-nitrous acid Stage #2: Isopropenyl acetate With copper(I) oxide; sodium acetate Meerwein arylation;	85%
With tert.-butylnitrite; water; salicylic acid In acetonitrile at 20℃; for 3h; Inert atmosphere; Schlenk technique;	61%
Stage #1: 3-chloro-aniline With hydrogenchloride; sodium nitrite In water at 0℃; for 0.5h; Stage #2: With tetrafluoroboric acid In water for 3h; Stage #3: Isopropenyl acetate With copper(I) oxide; sodium acetate In water at 35 - 40℃; for 8h;

: 109619-78-5
(E)-2-methyl-3-(3-chlorophenyl)acrylic acid

: 14123-60-5
3-chlorophenylacetone

Conditions

Conditions	Yield
With diphenyl phosphoryl azide; triethylamine In toluene at 25 - 110℃; for 1.5h;	81%
Multi-step reaction with 2 steps 1: thionyl chloride / tetrachloromethane / 0.5 h / 35 °C 2: sodium azide; tetrabutylammomium bromide; water / tetrachloromethane / 1.5 h / Reflux View Scheme

: 1401722-60-8
C9H7ClN2O3S

: 67-64-1
acetone

: 14123-60-5
3-chlorophenylacetone

Conditions

Conditions	Yield
With palladium diacetate; caesium carbonate; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene In 1,4-dioxane at 60℃; for 24h; Inert atmosphere; chemoselective reaction;	80%

: C6H4ClCH2COCH3FeC5H5(1+)*PF6(1-)

: 14123-60-5
3-chlorophenylacetone

Conditions

Conditions	Yield
Sample heated for 1.0 h at 200-220°C and 1 torr.; Sublimation; chromy. (F-20 alumina, CCl4/CHCl3).;	75%

: 5-Chloro-7-methyl-bicyclo[4.2.0]octa-1(6),2,4-trien-7-ol

A: 14123-60-5
3-chlorophenylacetone

B: 1-(2-Chloro-6-methyl-phenyl)-ethanone

Conditions

Conditions	Yield
With sodium methylate In methanol at 65℃; for 0.25h; Product distribution; variation of base;	A 31% B 69%
With sodium tert-pentoxide In tetrahydrofuran at -40℃; for 0.25h; Yield given. Yields of byproduct given;
With sodium methylate In methanol Heating; Yield given. Yields of byproduct given;

: 954262-36-3
2-(3'-chlorophenyl)-3-methyloxirane

A: 14123-60-5
3-chlorophenylacetone

: (RS,RS)-1-fluoro-1-(3'-chlorophenyl)propan-2-ol

Conditions

Conditions	Yield
Stage #1: 2-(3'-chlorophenyl)-3-methyloxirane With boron trifluoride diethyl etherate In dichloromethane at -20℃; for 0.166667h; Stage #2: With water; sodium hydrogencarbonate In dichloromethane optical yield given as %de; stereoselective reaction;	A 74 mg B 64%

: 954262-36-3
2-(3'-chlorophenyl)-3-methyloxirane

: 2-fluoro-4,4,5,5-tetramethyl-1,3-dioxa-2-boracyclopentane

A: 14123-60-5
3-chlorophenylacetone

: (RS,RS)-1-fluoro-1-(3'-chlorophenyl)propan-2-ol

: C9H10ClFO

Conditions

Conditions	Yield
In dichloromethane at 20℃; Inert atmosphere;	A 23% B 56% C n/a

...Expand

: 108-22-5
Isopropenyl acetate

: 456-39-3
3-chlorobenzenediazonium tetrafluoroborate

: 14123-60-5
3-chlorophenylacetone

Conditions

Conditions	Yield
With 1-aminomorpholine In dimethyl sulfoxide; N,N-dimethyl-formamide at 20℃; for 3h;	45%

: 19394-34-4
(E)-1-(3'-chlorophenyl)-2-nitropropene

: 14123-60-5
3-chlorophenylacetone

Conditions

Conditions	Yield
With hydrogenchloride; water; iron
With hydrogenchloride; iron(III) chloride; iron for 1h; Heating;
With hydrogenchloride; iron

: 1878-65-5
3-chlorophenylacetic acid

: 108-24-7
acetic anhydride

: 14123-60-5
3-chlorophenylacetone

Conditions

Conditions	Yield
With pyridine modified Dakin West reaction;
With 1-methyl-1H-imidazole at 20℃; for 12h; Dakin-West Ketone Synthesis; Inert atmosphere;

: 144380-79-0
(Z)-1-(3-Chloro-phenyl)-propen-2-ol

: 14123-60-5
3-chlorophenylacetone

Conditions

Conditions	Yield
In benzene-d6 at 25℃; Equilibrium constant; other solvent;

: 108-90-7
chlorobenzene

: 67-64-1
acetone

A: 6305-95-9
2-chlorophenylacetone

B: 14123-60-5
3-chlorophenylacetone

C: 5586-88-9
1-(4-chlorophenyl)propan-2-one

Conditions

Conditions	Yield
With manganese triacetate; acetic acid Heating; Yield given. Yields of byproduct given;
With manganese triacetate In acetic acid Heating; Yield given. Yields of byproduct given. Title compound not separated from byproducts;
With manganese triacetate In various solvent(s) for 1.5h; ultrasonic irradiation;

...Expand

: 108-90-7
chlorobenzene

: 67-64-1
acetone

A: 14123-60-5
3-chlorophenylacetone

B: 5586-88-9
1-(4-chlorophenyl)propan-2-one

Conditions

Conditions	Yield
With manganese triacetate In acetic acid at 60℃; Rate constant; also in the presence of benzene at 70 deg C (relative reactivity);

...Expand

: 69390-31-4
C11H12ClNO

: 14123-60-5
3-chlorophenylacetone

Conditions

Conditions	Yield
With phosphorus pentachloride In 1,4-dioxane; diethyl ether
With phosphorus pentachloride In diethyl ether

: 14123-79-6
2-(3-chloro-phenyl)-acetoacetonitrile

: 14123-60-5
3-chlorophenylacetone

Conditions

Conditions	Yield
With hydrogenchloride; acetic acid

: 67-64-1
acetone

cyclopentadienyliron complexes: cyclopentadienyliron complexes

: 14123-60-5
3-chlorophenylacetone

Conditions

Conditions	Yield
With potassium carbonate 1.) THF, DMSO, r.t., 5 h, 2.) 200-220 deg C, 1 torr; Yield given. Multistep reaction;

: 587-04-2
3-Chlorobenzaldehyde

: 14123-60-5
3-chlorophenylacetone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: NH4OAc / acetic acid / 3 h / Heating 2: Fe, FeCl3, aq. HCl / 1 h / Heating View Scheme
Multi-step reaction with 2 steps 1: NH4OAc, AcOH 2: Fe, aq. HCl View Scheme

: 1529-41-5
3-chloro-benzeneacetonitrile

: 14123-60-5
3-chlorophenylacetone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: NaOEt / ethanol 2: aq. HCl, AcOH View Scheme

: 108-42-9
3-chloro-aniline

: 14123-60-5
3-chlorophenylacetone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: sodium nitrite / water / 0.67 h / 0 °C 2: 1-aminomorpholine / dimethyl sulfoxide; N,N-dimethyl-formamide / 3 h / 20 °C View Scheme

: C10H8Cl2O

: 14123-60-5
3-chlorophenylacetone

Conditions

Conditions	Yield
With sodium azide; tetrabutylammomium bromide; water In tetrachloromethane for 1.5h; Reflux;	4.3 g

: 867-13-0
diethoxyphosphoryl-acetic acid ethyl ester

: 14123-60-5
3-chlorophenylacetone

: ethyl 4-(3-chlorophenyl)-3-methylbut-2-enoate

Conditions

Conditions	Yield
With potassium tert-butylate In tetrahydrofuran for 2h; Horner-Wadsworth-Emmons Olefination; Reflux; Inert atmosphere;	97%
Stage #1: diethoxyphosphoryl-acetic acid ethyl ester With sodium hydride In tetrahydrofuran; mineral oil at 0℃; for 1h; Stage #2: 3-chlorophenylacetone In tetrahydrofuran; mineral oil at 0 - 23℃;

: 14123-60-5
3-chlorophenylacetone

: 55718-52-0
1,1'-((4-chlorophenyl)methylene)diurea

: 5-(3-chlorophenyl)-4-(4-chlorophenyl)-6-methyl-3,4-dihydropyrimidin-2(1H)-one

Conditions

Conditions	Yield
With caesium carbonate In ethanol at 70℃; for 24h;	94%

: 14123-60-5
3-chlorophenylacetone

: 319474-76-5
1-(m-chlorophenyl)-2-propanone oxime

Conditions

Conditions	Yield
With hydroxylamine hydrochloride; sodium hydroxide In ethanol; water for 1h; Reflux;	93%

: 14123-60-5
3-chlorophenylacetone

: 149-30-4
2-Mercaptobenzothiazole

: 1-(benzo[d]thiazol-2-ylthio)-3-(3-chlorophenyl)propan-2-one

Conditions

Conditions	Yield
With dipotassium peroxodisulfate; potassium iodide In dimethyl sulfoxide at 20℃; for 24h; Schlenk technique;	89%

: 14123-60-5
3-chlorophenylacetone

: 91-00-9
Benzhydrylamine

: N-benzhydryl-1-(3-chlorophenyl)propan-2-amine

Conditions

Conditions	Yield
With titanium(IV) isopropylate; bis(1,5-cyclooctadiene)diiridium(I) dichloride; C27H34NO2P; hydrogen; trifluoroacetic acid In dichloromethane at 20℃; under 45603.1 Torr; Autoclave; Molecular sieve; enantioselective reaction;	87%

: 14123-60-5
3-chlorophenylacetone

: N-t-butoxycarbonyl-3-iodo-D-alanine methyl ester

: methyl 2-(tert-butoxycarbonylamino)-4-(3-chlorophenyl)-5-oxo-hexanoate

Conditions

Conditions	Yield
With caesium carbonate In N,N-dimethyl-formamide at 20℃; for 3.25h; Inert atmosphere;	80%
With caesium carbonate In N,N-dimethyl-formamide for 2.5h;
Stage #1: N-t-butoxycarbonyl-3-iodo-D-alanine methyl ester With caesium carbonate In N,N-dimethyl-formamide at 23℃; for 0.75h; Stage #2: 3-chlorophenylacetone With caesium carbonate In N,N-dimethyl-formamide for 2.5h;
Stage #1: N-t-butoxycarbonyl-3-iodo-D-alanine methyl ester With caesium carbonate In N,N-dimethyl-formamide at 23℃; for 0.75h; Stage #2: 3-chlorophenylacetone With caesium carbonate In N,N-dimethyl-formamide for 2.5h;
Stage #1: N-t-butoxycarbonyl-3-iodo-D-alanine methyl ester With caesium carbonate In N,N-dimethyl-formamide at 23℃; for 0.75h; Stage #2: 3-chlorophenylacetone With caesium carbonate In N,N-dimethyl-formamide for 2.5h;

: 14123-60-5
3-chlorophenylacetone

: 134469-07-1
Benzimidazol-2-thiol

: 2-(3-chlorophenyl)-3-methylbenzo[4,5]imidazo[2,1-b]thiazole

Conditions

Conditions	Yield
With hydrogenchloride; dihydrogen peroxide; dimethyl sulfoxide In water at 135℃; for 0.5h; Sealed tube; Green chemistry; regioselective reaction;	78%

: 14123-60-5
3-chlorophenylacetone

: 34461-00-2
sodium nitromalonaldehyde

: 79287-43-7
3'-Chloro-5-nitro-biphenyl-2-ol

Conditions

Conditions	Yield
With sodium hydroxide In ethanol for 20h;	65%

: 14123-60-5
3-chlorophenylacetone

: 870-63-3
prenyl bromide

: 1344666-75-6
3-(3-chlorophenyl)-6-methylhept-5-en-2-one

Conditions

Conditions	Yield
Stage #1: 3-chlorophenylacetone With sodium hydride In N,N-dimethyl-formamide at -20℃; for 0.333333h; Stage #2: prenyl bromide In N,N-dimethyl-formamide at -20 - 20℃; for 1.33333h;	63%

: 25195-89-5
(3-methylbut-3-en-1-oxy)trimethylsilane

: 14123-60-5
3-chlorophenylacetone

: 5-chloro-1,9-dimethyl-10-oxatricyclo[7.3.1.02,7]-trideca-2,4,6-triene

Conditions

Conditions	Yield
Stage #1: (3-methylbut-3-en-1-oxy)trimethylsilane; 3-chlorophenylacetone In chloroform for 0.0833333h; Inert atmosphere; Stage #2: With trimethylsilyl trifluoromethanesulfonate In chloroform for 4h; Inert atmosphere; Reflux;	41%

: 14123-60-5
3-chlorophenylacetone

: 91391-56-9
1-bromo-1-(3-chlorophenyl)propan-2-one

Conditions

Conditions	Yield
With bromine; acetic acid

: 14123-60-5
3-chlorophenylacetone

: 74-88-4
methyl iodide

: 21905-97-5
3-(3-chlorophenyl)butan-2-one

Conditions

Conditions	Yield
(i) NaOiPr, iPrOH, (ii) /BRN= 969135/; Multistep reaction;
With sodium hydroxide In dichloromethane; water

: 14123-60-5
3-chlorophenylacetone

: 144380-79-0
(Z)-1-(3-Chloro-phenyl)-propen-2-ol

Conditions

Conditions	Yield
In benzene-d6 at 25℃; Equilibrium constant; other solvent;

: 14123-60-5
3-chlorophenylacetone

: 144380-85-8
2-(3-Chloro-phenyl)-1-methyl-ethylideneamine

Conditions

Conditions	Yield
With ammonia In benzene Heating;

: 14123-60-5
3-chlorophenylacetone

: 1467-79-4
NCNMe2

: C12H14Cl2N2*Cl2HO2P

Conditions

Conditions	Yield
With trichlorophosphate 1.) benzene, reflux, 15 min, 2.) benzene, ether, RT, 1 h; Multistep reaction;

: 14123-60-5
3-chlorophenylacetone

: 75-05-8
acetonitrile

: C11H11Cl3NO2P

Conditions

Conditions	Yield
With trichlorophosphate Heating;

3-Chlorophenylacetone Specification

The 2-Propanone,1-(3-chlorophenyl)-, with the CAS registry number 14123-60-5, is also known as 3-Chlorophenylacetone. It belongs to the product category of Aromatic Ketones (substituted). This chemical's molecular formula is C₉H₉ClO and molecular weight is 168.62016. Its IUPAC name is called 1-(3-chlorophenyl)propan-2-one. When you are using this chemical, please be cautious about it. You must avoid contact with skin and eyes.

Physical properties of 2-Propanone,1-(3-chlorophenyl)-: (1)ACD/LogP: 2.41; (2)ACD/LogD (pH 5.5): 2.409; (3)ACD/LogD (pH 7.4): 2.409; (4)ACD/BCF (pH 5.5): 39.865; (5)ACD/BCF (pH 7.4): 39.865; (6)ACD/KOC (pH 5.5): 486.763; (7)ACD/KOC (pH 7.4): 486.763; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.526; (11)Molar Refractivity: 45.36 cm³; (12)Molar Volume: 147.828 cm³; (13)Surface Tension: 36.999 dyne/cm; (14)Density: 1.141 g/cm³; (15)Flash Point: 116.264 °C; (16)Enthalpy of Vaporization: 47.334 kJ/mol; (17)Boiling Point: 236.542 °C at 760 mmHg; (18)Vapour Pressure: 0.047 mmHg at 25 °C.

Uses of 2-Propanone,1-(3-chlorophenyl)-: it can be used to produce 3'-chloro-5-nitro-biphenyl-2-ol. This reaction will need reagent aq. sodium hydroxide and solvent ethanol with reaction time of 20 hours. The yield is about 65%.

2-Propanone,1-(3-chlorophenyl)- can be used to produce 3'-chloro-5-nitro-biphenyl-2-ol with Natrium-nitro-malondialdehyd

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)CC1=CC(=CC=C1)Cl
(2)InChI: InChI=1S/C9H9ClO/c1-7(11)5-8-3-2-4-9(10)6-8/h2-4,6H,5H2,1H3
(3)InChIKey: VCNYPJMEQHTAHS-UHFFFAOYSA-N

Product Name

3-CHLOROPHENYLACETONE

Synthetic route

3-Chlorophenylacetone Specification

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