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3,4-Dimethoxyphenylacetone

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Name

3,4-Dimethoxyphenylacetone

EINECS 212-285-0
CAS No. 776-99-8 Density 1.047 g/cm3
PSA 35.53000 LogP 1.83530
Solubility Insoluble in water. Melting Point N/A
Formula C11H14O3 Boiling Point 295.2 °C at 760 mmHg
Molecular Weight 194.23 Flash Point 123.2 °C
Transport Information N/A Appearance colorless transparent liquid
Safety 24/25 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 776-99-8 (3,4-Dimethoxyphenylacetone) Hazard Symbols N/A
Synonyms

2-Propanone,(3,4-dimethoxyphenyl)- (6CI,7CI);(3,4-Dimethoxyphenyl)acetone;1-(3,4-Dimethoxyphenyl)-2-propanone;3,4-Dimethoxybenzyl methyl ketone;NSC16700;

Article Data 59

3,4-Dimethoxyphenylacetone Synthetic route

75-16-1

methylmagnesium bromide

155955-78-5

3,4-dimethoxyphenylacetic acid N,O-dimethylhydroxyamide

776-99-8

3,4-dimethoxyphenylacetone

Conditions
ConditionsYield
In tetrahydrofuran at 0℃;93%

bis(acetonitrile)palladium(II) dichloride

93-15-2

1,2-dimethoxy-4-(2-propenyl)benzene

A

776-99-8

3,4-dimethoxyphenylacetone

B

1-(3,4-dimethoxyphenyl)-2,2-dimethoxypropane

Conditions
ConditionsYield
A 91%
B n/a
2859-78-1

4-Bromoveratrole

67-64-1

acetone

776-99-8

3,4-dimethoxyphenylacetone

Conditions
ConditionsYield
With bis[chloro(1,2,3-trihapto-allylbenzene)palladium(II)]; N-[2-(di(1-adamantyl)phosphino)phenyl]morpholine; caesium carbonate at 90℃; for 16h; Inert atmosphere; sealed vial;88%
67-56-1

methanol

122-47-4, 37629-53-1

3,4-dimethoxy-β-methyl-β-nitrostyrene

A

776-99-8

3,4-dimethoxyphenylacetone

B

1-(3,4-dimethoxy-phenyl)-1-methoxy-propan-2-one oxime

Conditions
ConditionsYield
With indium; chloro-trimethyl-silane at 25℃; for 3.5h; Reduction; Addition;A n/a
B 87%

C18H20O3N2

100-52-7

benzaldehyde

A

776-99-8

3,4-dimethoxyphenylacetone

B

14850-88-5

(Z)-N'-benzylidenebenzohydrazide

Conditions
ConditionsYield
With chloro-trimethyl-silane; sodium iodide In acetonitrileA n/a
B 30%

C13H18O4N2

1122-91-4

4-bromo-benzaldehyde

A

C9H9N2O2Br

B

776-99-8

3,4-dimethoxyphenylacetone

Conditions
ConditionsYield
With chloro-trimethyl-silane; sodium iodide In acetonitrileA 25%
B n/a
2503-44-8

1-(3,4-dihydroxyphenyl)-2-propanone

776-99-8

3,4-dimethoxyphenylacetone

Conditions
ConditionsYield
With diethyl ether
93-40-3

(3,4-Dimethoxyphenyl)acetic acid

776-99-8

3,4-dimethoxyphenylacetone

Conditions
ConditionsYield
With lead acetate
30405-75-5

4-isopropenyl-1,2-dimethoxybenzene

776-99-8

3,4-dimethoxyphenylacetone

Conditions
ConditionsYield
With hypoiodous acid Einw. von AgNO3 oder HgO auf das gebildete Jodhydrin;
506-82-1

dimethylcadmium

10313-60-7

3,4-dimethoxyphenylacetyl chloride

776-99-8

3,4-dimethoxyphenylacetone

Conditions
ConditionsYield
With diethyl ether

3,4-Dimethoxyphenylacetone Chemical Properties

Molecular structure of 3,4-Dimethoxyphenylacetone (CAS NO.776-99-8) is:

Product Name: 3,4-Dimethoxyphenylacetone
CAS Registry Number: 776-99-8
IUPAC Name: 1-(3,4-dimethoxyphenyl)propan-2-one
Molecular Weight: 194.22706 [g/mol]
Molecular Formula: C11H14O3
XLogP3: 1.1
H-Bond Donor: 0
H-Bond Acceptor: 3 
EINECS: 212-285-0 
Surface Tension: 33.3 dyne/cm 
Refractive index: 1.5338-1.5358
Density: 1.047 g/cm3
Flash Point: 123.2 °C
Enthalpy of Vaporization: 53.49 kJ/mol
Boiling Point: 295.2 °C at 760 mmHg
Vapour Pressure: 0.00154 mmHg at 25°C
Product Categories: Aromatic Ketones (substituted);C11 to C12;Carbonyl Compounds;Ketones

3,4-Dimethoxyphenylacetone Uses

 3,4-Dimethoxyphenylacetone (CAS NO.776-99-8) is used as the intermediates of antihypertensive alpha-methyldopa.

3,4-Dimethoxyphenylacetone Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 670mg/kg (670mg/kg) BEHAVIORAL: ATAXIA Journal of Pharmaceutical Sciences. Vol. 60, Pg. 799, 1971.

3,4-Dimethoxyphenylacetone Safety Profile

Moderately toxic by intraperitoneal route. A flammable liquid. When heated to decomposition it emits acrid smoke and irritating vapors.
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 24/25 
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
RTECS: UC1795500

3,4-Dimethoxyphenylacetone Specification

 3,4-Dimethoxyphenylacetone , its cas register number is 776-99-8. It also can be called  (3,4-Dimethoxyphenyl)acetone ; 1-(3,4-Dimethoxyphenyl)-2-propanone ; Veratryl-2-propanone ; -(3,4-Dimethoxyphenyl)acetone ; 2-Propanone, 1-(3,4-dimethoxyphenyl)- .It is a clear brown viscous liquid with acetone-like odor.

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