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Cas Database

Name	2',3'-Dimethylacetophenone	EINECS	N/A
CAS No.	2142-71-4	Density	0.965 g/cm³
PSA	17.07000	LogP	2.50600
Solubility	N/A	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	N/A	Appearance	N/A
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	2,3-dimethylphenylethanone;Acetophenone,2',3'-dimethyl- (6CI,7CI,8CI);1-(2,3-Dimethylphenyl)ethanone;2,3-Dimethylacetophenone;	Article Data	12

2',3'-Dimethylacetophenone 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

: 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;

: 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;

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

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