2',3'-Dimethylacetophenone supplier

Name
2,3-DIMETHYLACETOPHENONE
EINECS
CAS No. 2142-71-4
Article Data12
CAS DataBase
Density 0.965 g/cm³
Solubility
Melting Point -14.3 °C
Formula C₁₀H₁₂O
Boiling Point 236.65 °C at 760 mmHg
Molecular Weight 148.205
Flash Point 92.375 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,3-dimethylphenylethanone;Acetophenone,2',3'-dimethyl- (6CI,7CI,8CI);1-(2,3-Dimethylphenyl)ethanone;2,3-Dimethylacetophenone;
PSA 17.07000
LogP 2.50600

Synthetic route

: 608-23-1
3-chloro-o-xylene

: 108-24-7
acetic anhydride

: 2142-71-4
1-(2,3-dimethyl-phenyl)-ethanone

Conditions

Conditions	Yield
Stage #1: 3-chloro-o-xylene With ethylmagnesium bromide; magnesium; lithium chloride In tetrahydrofuran at 40 - 50℃; for 10h; Stage #2: acetic anhydride In tetrahydrofuran; toluene at -5 - 5℃; for 2h; Temperature; Inert atmosphere;	79.2%

: 507-02-8
acetyl iodide

: 95-47-6
o-xylene

: 2142-71-4
1-(2,3-dimethyl-phenyl)-ethanone

Conditions

Conditions	Yield
UV-irradiation;	61%

: 95-47-6
o-xylene

: 64-19-7
acetic acid

A: 2142-71-4
1-(2,3-dimethyl-phenyl)-ethanone

B: 3637-01-2
3,4-dimethylacetophenone

Conditions

Conditions	Yield
With phosphorus pentoxide Title compound not separated from byproducts;	A 5% B n/a

...Expand

: 21900-46-9
2,3-dimethylbenzoyl chloride

: 506-82-1
dimethylcadmium

: 2142-71-4
1-(2,3-dimethyl-phenyl)-ethanone

Conditions

Conditions	Yield
With diethyl ether

: 64-19-7
acetic acid

: 603-79-2
2,3-dimethylbenzoic acid

: 2142-71-4
1-(2,3-dimethyl-phenyl)-ethanone

Conditions

Conditions	Yield
With thorium dioxide at 430 - 450℃;

: 917-64-6
methyl magnesium iodide

: 5724-56-1
2,3-dimethylbenzonitrile

: 2142-71-4
1-(2,3-dimethyl-phenyl)-ethanone

Conditions

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

: 33334-67-7
1-(3-Methyl-2-methylene-cyclohex-3-enyl)-ethanone

: 2142-71-4
1-(2,3-dimethyl-phenyl)-ethanone

Conditions

Conditions	Yield
palladium on activated charcoal at 200℃; for 5h;

: 69849-04-3
2-(1-ethoxyethoxy)-2-lithiopropanenitrile

Cr(CO)3(o-xylene): Cr(CO)3(o-xylene)

A: 2142-71-4
1-(2,3-dimethyl-phenyl)-ethanone

B: 3637-01-2
3,4-dimethylacetophenone

Conditions

Conditions	Yield
Yield given. Multistep reaction. Yields of byproduct given. Title compound not separated from byproducts;

...Expand

: 87-59-2
2,3-Dimethylaniline

: 2142-71-4
1-(2,3-dimethyl-phenyl)-ethanone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 1.) diazotizing agent View Scheme

: C14H20O

: 2142-71-4
1-(2,3-dimethyl-phenyl)-ethanone

Conditions

Conditions	Yield
With hydrogenchloride; water In diethyl ether at 20℃; for 1h; Inert atmosphere;

: 95-47-6
o-xylene

: 75-36-5
acetyl chloride

A: 2142-71-4
1-(2,3-dimethyl-phenyl)-ethanone

B: 3637-01-2
3,4-dimethylacetophenone

Conditions

Conditions	Yield
With polystyrene supported aluminium triflate at 20℃; for 0.9h; Friedel-Crafts acylation; Neat (no solvent); regioselective reaction;

...Expand

: 60907-90-6
1-(2,3-dimethylphenyl)ethanol

: 2142-71-4
1-(2,3-dimethyl-phenyl)-ethanone

Conditions

Conditions	Yield
With chromium(VI) oxide 2,3-Dimethyl-benzoylchlorid, Dimethylcadmium;

: 2142-71-4
1-(2,3-dimethyl-phenyl)-ethanone

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

: 176721-03-2
4-<1-(2,3-dimethylphenyl)-1-hydroxyethyl>-1-(triphenylmethyl)imidazole

Conditions

Conditions	Yield
Stage #1: (1-trityl-1H-imidazol-4-yl)magnesium bromide With lanthanum(III) chloride; SeCl3; tetrabutyl-ammonium chloride In tetrahydrofuran; diethyl ether at 20℃; for 0.5h; Schlenk technique; Inert atmosphere; Stage #2: 1-(2,3-dimethyl-phenyl)-ethanone With 18-crown-6 ether In tetrahydrofuran at 0 - 20℃; for 3h; Reagent/catalyst; Solvent; Temperature; Concentration;	96.1%

: 2142-71-4
1-(2,3-dimethyl-phenyl)-ethanone

: 1576-35-8
toluene-4-sulfonic acid hydrazide

: 2,3-dimethylacetophenone tosylhydrazone

Conditions

Conditions	Yield
	86%

: 2142-71-4
1-(2,3-dimethyl-phenyl)-ethanone

: 60907-90-6
1-(2,3-dimethylphenyl)ethanol

Conditions

Conditions	Yield
With formic acid; (η6-C10H14)Ru(Ts-ampi)Cl; sodium formate In water at 82℃; for 0.0166667h;	72%
With diisobutylaluminium hydride

: 2142-71-4
1-(2,3-dimethyl-phenyl)-ethanone

: trimethyl sulfonium hydrogen sulfate

: 42432-45-1
2-(2,3-dimethylphenyl)-2-methyloxirane

Conditions

Conditions	Yield
With potassium hydroxide at 30 - 50℃; for 7.5h;	60.1%

: 2142-71-4
1-(2,3-dimethyl-phenyl)-ethanone

: 933-98-2
3-ethyl-o-xylene

Conditions

Conditions	Yield
With hydrogenchloride; amalgamated zinc

: 2142-71-4
1-(2,3-dimethyl-phenyl)-ethanone

: 100-52-7
benzaldehyde

: 19811-08-6
2',3'-dimethyl-trans-chalcone

: 2142-71-4
1-(2,3-dimethyl-phenyl)-ethanone

: 1-(2,3-dimethylphenyl)diazoethane

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 86 percent 2: NaH / tetrahydrofuran 3: 75 °C View Scheme

: 2142-71-4
1-(2,3-dimethyl-phenyl)-ethanone

: 2,3-dimethylacetophenone tosylhydrazone Na salt

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 86 percent 2: NaH / tetrahydrofuran View Scheme

: 2142-71-4
1-(2,3-dimethyl-phenyl)-ethanone

: 109036-34-2
6,7-dimethyl-3-phenylindan-1-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 2: AlCl3; CS2 View Scheme

: 2142-71-4
1-(2,3-dimethyl-phenyl)-ethanone

: 944267-28-1
1-(2,3-Dimethylphenyl)-1-(1H-imidazol-2-yl)ethanol

Conditions

Conditions	Yield
Stage #1: 1-(diethoxymethyl)-1H-imidazole With n-butyllithium; N,N,N,N,-tetramethylethylenediamine In 2-methyltetrahydrofuran; hexane at -40 - -25℃; for 1h; Stage #2: 1-(2,3-dimethyl-phenyl)-ethanone In 2-methyltetrahydrofuran; hexane at 0 - 20℃; Product distribution / selectivity;

: 2142-71-4
1-(2,3-dimethyl-phenyl)-ethanone

: (S)-dexmedetomidine-L-(+)-tartaric acid salt

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: tetrabutyl-ammonium chloride; lanthanum(III) chloride; SeCl3 / diethyl ether; tetrahydrofuran / 0.5 h / 20 °C / Schlenk technique; Inert atmosphere 1.2: 3 h / 0 - 20 °C 2.1: triethylsilane; trifluoroacetic acid / dichloromethane / -10 - 20 °C 3.1: ethanol; isopropyl alcohol / 20 °C / Reflux View Scheme

: 2142-71-4
1-(2,3-dimethyl-phenyl)-ethanone

: dexmedetomidine hydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: tetrabutyl-ammonium chloride; lanthanum(III) chloride; SeCl3 / diethyl ether; tetrahydrofuran / 0.5 h / 20 °C / Schlenk technique; Inert atmosphere 1.2: 3 h / 0 - 20 °C 2.1: triethylsilane; trifluoroacetic acid / dichloromethane / -10 - 20 °C 3.1: ethanol; isopropyl alcohol / 20 °C / Reflux 4.1: sodium hydroxide / water / pH 8.5 View Scheme

: 2142-71-4
1-(2,3-dimethyl-phenyl)-ethanone

: 113775-47-6
dexmedetomidine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: tetrabutyl-ammonium chloride; lanthanum(III) chloride; SeCl3 / diethyl ether; tetrahydrofuran / 0.5 h / 20 °C / Schlenk technique; Inert atmosphere 1.2: 3 h / 0 - 20 °C 2.1: triethylsilane; trifluoroacetic acid / dichloromethane / -10 - 20 °C View Scheme

: 2142-71-4
1-(2,3-dimethyl-phenyl)-ethanone

: C19H18N2O

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: acetic acid / ethanol / 0.5 h / Reflux 2.1: trichlorophosphate / 0.5 h / 0 °C 2.2: 0 - 20 °C View Scheme

: 2142-71-4
1-(2,3-dimethyl-phenyl)-ethanone

: 2-{2-[3-(2,3-dimethylphenyl)-1-(4-methoxy-phenyl)-1Hpyrazol-4-yl]-vinyl}-3-phenyl-pyrido[1,2-a]pyrimidin-4-one

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: acetic acid / ethanol / 0.5 h / Reflux 2.1: trichlorophosphate / 0.5 h / 0 °C 2.2: 0 - 20 °C 3.1: sodium ethanolate / ethanol / 13 h / Reflux View Scheme

: 2142-71-4
1-(2,3-dimethyl-phenyl)-ethanone

: 2-{2-[3-(2,3-dimethylphenyl)-1-p-tolyl-1H-pyrazol-4-yl]-vinyl}-3-phenyl-pyrido[1,2-a]pyrimidin-4-one

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: acetic acid / ethanol / 0.5 h / Reflux 2.1: trichlorophosphate / 0.5 h / 0 °C 2.2: 0 - 20 °C 3.1: sodium ethanolate / ethanol / 13 h / Reflux View Scheme

: 2142-71-4
1-(2,3-dimethyl-phenyl)-ethanone

: C19H18N2O2

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: acetic acid / ethanol / 0.5 h / Reflux 2.1: trichlorophosphate / 0.5 h / 0 °C 2.2: 0 - 20 °C View Scheme

: 2142-71-4
1-(2,3-dimethyl-phenyl)-ethanone

: 539-44-6
N-4-methylphenylhydrazine

: C17H20N2

Conditions

Conditions	Yield
With acetic acid In ethanol for 0.5h; Reflux;

: 2142-71-4
1-(2,3-dimethyl-phenyl)-ethanone

: 3471-32-7
4-Methoxyphenylhydrazine

: C17H20N2O

Conditions

Conditions	Yield
With acetic acid In ethanol for 0.5h; Reflux;

2',3'-Dimethylacetophenone Specification

The Ethanone,1-(2,3-dimethylphenyl)-, with CAS registry number 2142-71-4, has the systematic name of 1-(2,3-dimethylphenyl)ethanone. Besides this, it is also called 2,3-Dimethylacetophenone. And the chemical formula of this chemical is C₁₀H₁₂O.

Physical properties of Ethanone,1-(2,3-dimethylphenyl)-: (1)ACD/LogP: 1.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.318; (4)ACD/LogD (pH 7.4): 1.318; (5)ACD/BCF (pH 5.5): 5.907; (6)ACD/BCF (pH 7.4): 5.907; (7)ACD/KOC (pH 5.5): 124.094; (8)ACD/KOC (pH 7.4): 124.094; (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: 1.51; (14)Molar Refractivity: 45.931 cm³; (15)Molar Volume: 153.514 cm³; (16)Polarizability: 18.208×10^-24cm³; (17)Surface Tension: 32.93 dyne/cm; (18)Density: 0.965 g/cm³; (19)Flash Point: 92.375 °C; (20)Enthalpy of Vaporization: 47.345 kJ/mol; (21)Boiling Point: 236.65 °C at 760 mmHg; (22)Vapour Pressure: 0.047 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cccc(c1C)C(=O)C
(2)InChI: InChI=1/C10H12O/c1-7-5-4-6-10(8(7)2)9(3)11/h4-6H,1-3H3
(3)InChIKey: YXJIYJZHAPHBHG-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C10H12O/c1-7-5-4-6-10(8(7)2)9(3)11/h4-6H,1-3H3
(5)Std. InChIKey: YXJIYJZHAPHBHG-UHFFFAOYSA-N

Product Name

2,3-DIMETHYLACETOPHENONE

Synthetic route

2',3'-Dimethylacetophenone Specification

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