2',3'-Dichloroacetophenone supplier

Name
2,3-Dichloroacetophenone
EINECS 259-954-3
CAS No. 56041-57-7
Article Data6
CAS DataBase
Density 1.304 g/cm³
Solubility
Melting Point 106℃
Formula C₈H₆Cl₂O
Boiling Point 247.3 °C at 760 mmHg
Molecular Weight 189.041
Flash Point 101.3 °C
Transport Information
Appearance colorless to pale yellow liquid
Safety 26-36/37/39
Risk Codes 36/38 37
Molecular Structure
Hazard Symbols Xi
Synonyms 1-(2,3-Dichlorophenyl)ethanone;2,3-Dichloroacetophenone;2',3'-Dichloroacetophenone;
PSA 17.07000
LogP 3.19600

Synthetic route

: 95-50-1
1,2-dichloro-benzene

: 56041-57-7
2',3'-dichloroacetophenone

Conditions

Conditions	Yield
With n-butyllithium; acetic anhydride In tetrahydrofuran; hexane	75%
With n-butyllithium; acetic anhydride In tetrahydrofuran; hexane	75%

: 54798-91-3
2,3-Dichloro-α-methylbenzyl alcohol

: sodium hydrogensulfite

: 56041-57-7
2',3'-dichloroacetophenone

Conditions

Conditions	Yield
With sodium hypochlorite In acetic acid	65%
With sodium hypochlorite In acetic acid	65%

: 917-64-6
methyl magnesium iodide

: 6574-97-6
2,3-dichlorobenzonitrile

: 56041-57-7
2',3'-dichloroacetophenone

: 6574-97-6
2,3-dichlorobenzonitrile

: 75-16-1
methylmagnesium bromide

: 56041-57-7
2',3'-dichloroacetophenone

: 54798-91-3
2,3-Dichloro-α-methylbenzyl alcohol

: 56041-57-7
2',3'-dichloroacetophenone

Conditions

Conditions	Yield
With pyridinium chlorochromate In dichloromethane at 10 - 35℃; for 3h; Inert atmosphere;	6 g

: 6334-18-5
2,3-dichlorobenzylaldehyde

: 56041-57-7
2',3'-dichloroacetophenone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: tetrahydrofuran / 3 h / 0 - 35 °C / Inert atmosphere 2: pyridinium chlorochromate / dichloromethane / 3 h / 10 - 35 °C / Inert atmosphere View Scheme

: 56041-57-7
2',3'-dichloroacetophenone

: 2-bromo-1-(2,3-dichlorophenyl)ethanone

Conditions

Conditions	Yield
With bromine In dichloromethane at 20℃;	100%
With bromine In dichloromethane at 0 - 20℃;	100%
With bromine In chloroform at 20℃;
With N-Bromosuccinimide; trimethylsilyl trifluoromethanesulfonate In acetonitrile at 40℃; Darkness;

: 56041-57-7
2',3'-dichloroacetophenone

: 182913-78-6
2-chloro-1-(2,3-dichlorophenyl)-ethanone

Conditions

Conditions	Yield
With sulfuryl dichloride In tetrachloromethane at 20 - 45℃; for 120h;	95%

: 56041-57-7
2',3'-dichloroacetophenone

: 4637-24-5
N,N-dimethyl-formamide dimethyl acetal

: C11H11Cl2NO

Conditions

Conditions	Yield
Heating;	90%

: 56041-57-7
2',3'-dichloroacetophenone

: 92972-48-0
2,4-dichlorothiazole-5-carboxaldehyde

: (E)-1-(2,3-dichlorophenyl)-3-(2,4-dichlorothiazol-5-yl)prop-2-en-1-one

Conditions

Conditions	Yield
With hydrogenchloride; acetic acid In ethanol Reflux;	76%

: 56041-57-7
2',3'-dichloroacetophenone

: 405-05-0
3-fluoro-4-hydroxybenzaldehyde

: (E)-1-(2,3-dichlorophenyl)-3-(3-fluoro-4-hydroxyphenyl)prop-2-en-1-one

Conditions

Conditions	Yield
With potassium hydroxide In ethanol at 120℃;	72%

: 463-04-7
n-Amyl nitrite

: 56041-57-7
2',3'-dichloroacetophenone

: 94213-22-6
2,3-dichlorophenylglyoxal aldoxime

Conditions

Conditions	Yield
With hydrogenchloride In diethyl ether	46%

: 5533-00-6
3-methoxy-4-methoxymethoxy-benzaldehyde

: 56041-57-7
2',3'-dichloroacetophenone

: C18H16Cl2O4

Conditions

Conditions	Yield
With barium hydroxide monohydrate In ethanol at 20℃; for 20h; Claisen-Schmidt Condensation;	41%

: 50-00-0
formaldehyd

: 56041-57-7
2',3'-dichloroacetophenone

: 506-59-2
N,N-dimethylammonium chloride

: 1-(2,3-dichlorophenyl)-3-(dimethylamino)prop-1-one

Conditions

Conditions	Yield
With hydrogenchloride In ethanol; water at 80℃; for 16h;	33.52%

...Expand

: 104-92-7
1-bromo-4-methoxy-benzene

: 56041-57-7
2',3'-dichloroacetophenone

: 1071784-26-3
1-(2,3-dichlorophenyl)-2-(4-methoxyphenyl)ethanone

Conditions

Conditions	Yield
Stage #1: 1-bromo-4-methoxy-benzene With potassium hexamethylsilazane; 1,1'-bis-(diphenylphosphino)ferrocene; bis(dibenzylideneacetone)-palladium(0) In tetrahydrofuran at 20℃; for 0.5h; Stage #2: 2',3'-dichloroacetophenone In tetrahydrofuran at 20℃; for 3h; Heating / reflux;	18%

: 56041-57-7
2',3'-dichloroacetophenone

: 54484-61-6
1-ethyl-2,3-dichloro-benzene

Conditions

Conditions	Yield
(reduction);

: 56041-57-7
2',3'-dichloroacetophenone

: 1-(2',3'-dichlorophenyl)ethylamine

Conditions

Conditions	Yield
(i) HCONH2, HCO2H, (ii) aq. HCl; Multistep reaction;

: 56041-57-7
2',3'-dichloroacetophenone

: 2-chloro-4-methyl-phenol sodium salt

: 1-[3-Chloro-2-(2-chloro-4-methyl-phenoxy)-phenyl]-ethanone

Conditions

Conditions	Yield
With 2-chloro-p-cresol; copper at 120 - 125℃; for 24h;

: 553-90-2
Dimethyl oxalate

: 56041-57-7
2',3'-dichloroacetophenone

: (Z)-4-(2,3-Dichloro-phenyl)-2-hydroxy-4-oxo-but-2-enoic acid methyl ester

Conditions

Conditions	Yield
With sodium methylate In methanol at 0 - 20℃;

: 56041-57-7
2',3'-dichloroacetophenone

dialkyl oxalate (R=Me or Et): dialkyl oxalate (R=Me or Et)

: 4-(2,3-dichloro-phenyl)-2,4-dioxo-butyric acid

Conditions

Conditions	Yield
Stage #1: 2',3'-dichloroacetophenone; dialkyl oxalate (R=Me or Et) With sodium methylate In tetrahydrofuran; methanol at 20℃; for 2h; Claisen condensation; Stage #2: With sodium hydroxide In tetrahydrofuran; methanol for 4h;

: 56041-57-7
2',3'-dichloroacetophenone

A: (S)-(-)-1-(2,3-dichlorophenyl)ethanol

B: (R)-(+)-1-(2,3-dichlorophenyl)ethanol

Conditions

Conditions	Yield
With potassium tert-butylate; hydrogen; chiral ruthenium(II) complex In isopropyl alcohol at 0℃; under 60004.8 Torr; for 10h; Title compound not separated from byproducts;

: 56041-57-7
2',3'-dichloroacetophenone

: C16H12Cl2N2

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 90 percent / Heating 2: 46 percent / NaOAc / H2O; methanol / 90 °C View Scheme

: 56041-57-7
2',3'-dichloroacetophenone

: C16H12Cl2N2

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 90 percent / Heating 2: 6 percent / NaOAc / H2O; methanol / 90 °C View Scheme

: 56041-57-7
2',3'-dichloroacetophenone

: (Z)-2-Amino-4-(2,3-dichloro-phenyl)-4-oxo-but-2-enoic acid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: NaOMe / methanol / 0 - 20 °C 2: NH4OAc; gl. AcOH / benzene / 12 h / Heating 3: aq. KOH / tetrahydrofuran / 0 - 20 °C View Scheme

: 56041-57-7
2',3'-dichloroacetophenone

: (Z)-2-Amino-4-(2,3-dichloro-phenyl)-4-oxo-but-2-enoic acid methyl ester

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: NaOMe / methanol / 0 - 20 °C 2: NH4OAc; gl. AcOH / benzene / 12 h / Heating View Scheme

: 56041-57-7
2',3'-dichloroacetophenone

: (Z)-4-(2,3-Dichloro-phenyl)-2-hydroxy-4-oxo-but-2-enoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: NaOMe / methanol / 0 - 20 °C 2: aq. HCl / 4 h / 20 °C View Scheme

: 56041-57-7
2',3'-dichloroacetophenone

: 86308-73-8
[3-Chloro-2-(2-chloro-4-methyl-phenoxy)-phenyl]-acetic acid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 2-chloro-4-methylphenol, copper / 24 h / 120 - 125 °C 2: sulfur / 24 h / Heating 3: KOH / methanol / 72 h / Heating View Scheme

: 56041-57-7
2',3'-dichloroacetophenone

: 2-[3-Chloro-2-(2-chloro-4-methyl-phenoxy)-phenyl]-1-morpholin-4-yl-ethanethione

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 2-chloro-4-methylphenol, copper / 24 h / 120 - 125 °C 2: sulfur / 24 h / Heating View Scheme

: 56041-57-7
2',3'-dichloroacetophenone

: 105-56-6
ethyl 2-cyanoacetate

: 1101067-94-0
2-cyano-3-(2,3-dichlorophenyl)-but-2-enoic acid ethyl ester

Conditions

Conditions	Yield
With ammonium acetate; acetic acid In benzene

: 56041-57-7
2',3'-dichloroacetophenone

: 184579-26-8
(1-trityl-1H-imidazol-4-yl)magnesium bromide

: 881409-76-3
1-(2,3-dichloro-phenyl)-1-(1-trityl-1H-imidazol-4-yl)-ethanol

Conditions

Conditions	Yield
Stage #1: 2',3'-dichloroacetophenone; (1-trityl-1H-imidazol-4-yl)magnesium bromide In dichloromethane at 20℃; for 16h; Stage #2: With ammonium chloride In dichloromethane

: 56041-57-7
2',3'-dichloroacetophenone

: 104-15-4
toluene-4-sulfonic acid

: 107-21-1
ethylene glycol

: 2-(bromomethyl)-2-(2,3-dichlorophenyl)-1,3-dioxolane

Conditions

Conditions	Yield
With bromine In di-isopropyl ether; butan-1-ol; benzene	96.6 parts (49%)

...Expand

2',3'-Dichloroacetophenone Specification

The Ethanone,1-(2,3-dichlorophenyl)-, with CAS registry number 56041-57-7, belongs to the following product category: Aromatic Acetophenones & Derivatives (substituted). It has the systematic name of 1-(2,3-dichlorophenyl)ethanone. This chemical is a kind of colorless to pale yellow liquid. And it should be stored in cool, dry place.

Physical properties of Ethanone,1-(2,3-dichlorophenyl)-: (1)ACD/LogP: 2.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.81; (4)ACD/LogD (pH 7.4): 2.81; (5)ACD/BCF (pH 5.5): 80.45; (6)ACD/BCF (pH 7.4): 80.45; (7)ACD/KOC (pH 5.5): 804.61; (8)ACD/KOC (pH 7.4): 804.61; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.548; (14)Molar Refractivity: 46.07 cm³; (15)Molar Volume: 144.8 cm³; (16)Polarizability: 18.26×10^-24cm³; (17)Surface Tension: 39.9 dyne/cm; (18)Enthalpy of Vaporization: 48.45 kJ/mol; (19)Vapour Pressure: 0.0258 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Ethanone,1-(2,3-dichlorophenyl)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c(C(=O)C)cccc1Cl
(2)InChI: InChI=1/C8H6Cl2O/c1-5(11)6-3-2-4-7(9)8(6)10/h2-4H,1H3
(3)InChIKey: KMABBMYSEVZARZ-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C8H6Cl2O/c1-5(11)6-3-2-4-7(9)8(6)10/h2-4H,1H3
(5)Std. InChIKey: KMABBMYSEVZARZ-UHFFFAOYSA-N

Product Name

2,3-Dichloroacetophenone

Synthetic route

2',3'-Dichloroacetophenone Specification

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