Basic Information | Post buying leads | Suppliers | 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 |
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% |
Conditions | Yield |
---|---|
UV-irradiation; | 61% |
o-xylene
acetic acid
A
1-(2,3-dimethyl-phenyl)-ethanone
B
3,4-dimethylacetophenone
Conditions | Yield |
---|---|
With phosphorus pentoxide Title compound not separated from byproducts; | A 5% B n/a |
2,3-dimethylbenzoyl chloride
dimethylcadmium
1-(2,3-dimethyl-phenyl)-ethanone
Conditions | Yield |
---|---|
With diethyl ether |
Conditions | Yield |
---|---|
With thorium dioxide at 430 - 450℃; |
methyl magnesium iodide
2,3-dimethylbenzonitrile
1-(2,3-dimethyl-phenyl)-ethanone
Conditions | Yield |
---|---|
(i), (ii) aq. HCl; Multistep reaction; |
1-(3-Methyl-2-methylene-cyclohex-3-enyl)-ethanone
1-(2,3-dimethyl-phenyl)-ethanone
Conditions | Yield |
---|---|
palladium on activated charcoal at 200℃; for 5h; |
2-(1-ethoxyethoxy)-2-lithiopropanenitrile
A
1-(2,3-dimethyl-phenyl)-ethanone
B
3,4-dimethylacetophenone
Conditions | Yield |
---|---|
Yield given. Multistep reaction. Yields of byproduct given. Title compound not separated from byproducts; |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 1.) diazotizing agent View Scheme |
1-(2,3-dimethyl-phenyl)-ethanone
Conditions | Yield |
---|---|
With hydrogenchloride; water In diethyl ether at 20℃; for 1h; Inert atmosphere; |
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