3,4-Dimethoxyphenylacetone supplier

Name
3,4-Dimethoxyphenylacetone
EINECS 212-285-0
CAS No. 776-99-8
Article Data59
CAS DataBase
Density 1.047 g/cm³
Solubility Insoluble in water.
Melting Point
Formula C₁₁H₁₄O₃
Boiling Point 295.2 °C at 760 mmHg
Molecular Weight 194.23
Flash Point 123.2 °C
Transport Information
Appearance colorless transparent liquid
Safety 24/25
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
Synonyms 2-Propanone,(3,4-dimethoxyphenyl)- (6CI,7CI);(3,4-Dimethoxyphenyl)acetone;1-(3,4-Dimethoxyphenyl)-2-propanone;3,4-Dimethoxybenzyl methyl ketone;NSC16700;
PSA 35.53000
LogP 1.83530

Synthetic route

: 75-16-1
methylmagnesium bromide

: 155955-78-5
3,4-dimethoxyphenylacetic acid N,O-dimethylhydroxyamide

: 776-99-8
3,4-dimethoxyphenylacetone

Conditions

Conditions	Yield
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

Conditions	Yield
	A 91% B n/a

...Expand

: 2859-78-1
4-Bromoveratrole

: 67-64-1
acetone

: 776-99-8
3,4-dimethoxyphenylacetone

Conditions

Conditions	Yield
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

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

...Expand

: C18H20O3N2

: 100-52-7
benzaldehyde

A: 776-99-8
3,4-dimethoxyphenylacetone

B: 14850-88-5
(Z)-N'-benzylidenebenzohydrazide

Conditions

Conditions	Yield
With chloro-trimethyl-silane; sodium iodide In acetonitrile	A n/a B 30%

...Expand

: C13H18O4N2

: 1122-91-4
4-bromo-benzaldehyde

A: C9H9N2O2Br

B: 776-99-8
3,4-dimethoxyphenylacetone

Conditions

Conditions	Yield
With chloro-trimethyl-silane; sodium iodide In acetonitrile	A 25% B n/a

...Expand

: 186581-53-3, 908094-01-9
diazomethane

: 2503-44-8
1-(3,4-dihydroxyphenyl)-2-propanone

: 776-99-8
3,4-dimethoxyphenylacetone

Conditions

Conditions	Yield
With diethyl ether

: 93-40-3
(3,4-Dimethoxyphenyl)acetic acid

: 776-99-8
3,4-dimethoxyphenylacetone

Conditions

Conditions	Yield
With lead acetate

: 30405-75-5
4-isopropenyl-1,2-dimethoxybenzene

: 776-99-8
3,4-dimethoxyphenylacetone

Conditions

Conditions	Yield
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

Conditions	Yield
With diethyl ether

: 6379-72-2
1,2-dimethoxy-4-(E)-propenylbenzene

: 546-67-8
lead(IV) tetraacetate

: 64-19-7
acetic acid

: 776-99-8
3,4-dimethoxyphenylacetone

Conditions

Conditions	Yield
at 60℃; Kochen des Reaktionsprodukts mit wss. H2SO4;

...Expand

: 18133-46-5, 63895-79-4
α-(3,4-dimethoxyphenyl)acetoacetonitrile

: 776-99-8
3,4-dimethoxyphenylacetone

Conditions

Conditions	Yield
With sulfuric acid

: 93-16-3
Methylisoeugenol

: 776-99-8
3,4-dimethoxyphenylacetone

Conditions

Conditions	Yield
With lead(II,IV) oxide; acetic acid
With lead(IV) acetate; acetic acid at 50 - 60℃; Durch Erhitzen des Reaktionsprodukts mit wss. H2SO4;

: 61668-34-6
((Z)-2-Bromo-1-methyl-vinyloxy)-trimethyl-silane

: 89980-69-8
3,4-dimethoxyphenylmagnesium bromide

: 776-99-8
3,4-dimethoxyphenylacetone

Conditions

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

: 27602-80-8
1,2-epoxy-3-(3,4-dimethoxyphenyl)propane

: 776-99-8
3,4-dimethoxyphenylacetone

Conditions

Conditions	Yield
lithium iodide In various solvent(s) at 130℃; for 5h; Yield given;

: 88497-86-3
(-)-Saucerneol

A: 776-99-8
3,4-dimethoxyphenylacetone

B: 36531-08-5, 78341-26-1, 88034-60-0, 88547-66-4, 95782-56-2
(S)-8-(4-Hydroxy-3-methoxy-phenyl)-3-methoxy-6,7-dimethyl-5,6,7,8-tetrahydro-naphthalen-2-ol

Conditions

Conditions	Yield
hydrogen cation constitution;

: 88497-88-5
manassantin B

A: 776-99-8
3,4-dimethoxyphenylacetone

B: 4676-39-5
1-(1,3-benzodioxol-5-yl)-2-propanone

C: 36531-08-5, 78341-26-1, 88034-60-0, 88547-66-4, 95782-56-2
(S)-8-(4-Hydroxy-3-methoxy-phenyl)-3-methoxy-6,7-dimethyl-5,6,7,8-tetrahydro-naphthalen-2-ol

Conditions

Conditions	Yield
hydrogen cation constitution;

...Expand

: 88497-87-4
manassantin A

A: 776-99-8
3,4-dimethoxyphenylacetone

B: 36531-08-5, 78341-26-1, 88034-60-0, 88547-66-4, 95782-56-2
(S)-8-(4-Hydroxy-3-methoxy-phenyl)-3-methoxy-6,7-dimethyl-5,6,7,8-tetrahydro-naphthalen-2-ol

Conditions

Conditions	Yield
toluene-4-sulfonic acid In benzene constitution;

: 95018-66-9
N-Butyl-N'-tert-butyl-N-[(E)-2-(3,4-dimethoxy-phenyl)-1-methyl-vinyl]-formamidine

: 776-99-8
3,4-dimethoxyphenylacetone

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate; acetic acid; hydrazine 1.) EtOH, H2O, 2.) acetone, RT, 24 h; Yield given. Multistep reaction;

: 776-99-8
3,4-dimethoxyphenylacetone

: 19578-92-8
1-(3,4-dimethoxyphenyl)-2-propanol

Conditions

Conditions	Yield
With zirconium dioxide hydrate; isopropyl alcohol at 130℃; for 0.666667h; Meerwein-Ponndorf-Verley Reduction;	100%
With sodium tetrahydroborate In methanol at 20℃; for 0.166667h; Inert atmosphere; Schlenk technique;	96%
With sodium tetrahydroborate In ethanol at 20℃; for 0.5h;	95%

: 776-99-8
3,4-dimethoxyphenylacetone

: 120-26-3
2-(3,4-dimethoxyphenyl)-1-methylethylamine

Conditions

Conditions	Yield
Stage #1: 3,4-dimethoxyphenylacetone With ammonium acetate; sodium acetate; sodium cyanoborohydride; acetic acid In methanol at 20℃; for 18h; pH=6 - 7; Stage #2: With sodium hydroxide In methanol; water pH=14;	99%
With sodium cyanoborohydride In methanol; water	67%
With sodium cyanoborohydride In methanol; water	67%

: 776-99-8
3,4-dimethoxyphenylacetone

: 535-11-5, 41978-69-2
Ethyl 2-bromopropionate

: 4676-40-8
3-Hydroxy-2-methyl-3-veratryl-buttersaeureaethylester

Conditions

Conditions	Yield
With zinc In benzene for 4h; Reformatsky Reaction; Inert atmosphere; Reflux;	98.2%

: 776-99-8
3,4-dimethoxyphenylacetone

: 109-77-3
malononitrile

: 2-(1-(3,4-dimethoxyphenyl)propan-2-ylidene)malononitrile

Conditions

Conditions	Yield
With ammonium acetate; acetic acid In benzene at 120℃; Knoevenagel Condensation; Dean-Stark;	97%
Knoevenagel Condensation;

: 776-99-8
3,4-dimethoxyphenylacetone

: 74-88-4
methyl iodide

: 4156-24-5
3-(3',4'-dimethoxyphenyl)butan-2-one

Conditions

Conditions	Yield
With sodium hydride In tetrahydrofuran at 0 - 20℃; for 2h; Inert atmosphere; Schlenk technique;	96%
With sodium hydride In tetrahydrofuran 1.) 0 deg C to room temperature, 30 min, 2.) 0 deg C, 1 h; room temperature, 4 h;	92%
(i) NaOiPr, iPrOH, (ii) /BRN= 969135/; Multistep reaction;

: 776-99-8
3,4-dimethoxyphenylacetone

: 2024-83-1
veratronitrile

Conditions

Conditions	Yield
With iron; sodium nitrite In dimethyl sulfoxide at 90℃; for 20h; Reagent/catalyst; Solvent; Sealed tube; Inert atmosphere;	95%

: 776-99-8
3,4-dimethoxyphenylacetone

: 161121-02-4
(S)-1-(3,4-dimethoxyphenyl)propan-2-ol

Conditions

Conditions	Yield
With Rhodococcus ruber alcohol dehydrogenase; NAD; isopropyl alcohol; magnesium chloride In aq. phosphate buffer at 30℃; for 48h; pH=7; Catalytic behavior; Reagent/catalyst; Time; Inert atmosphere; Schlenk technique; Enzymatic reaction; enantioselective reaction;	94%
With lyophilized-rehydrated Debaryomyces hansenii cells; isopropyl alcohol In water at 28℃; for 1h;	64%
With D-glucose In aq. phosphate buffer at 30℃; for 24h; pH=7.5; Reagent/catalyst; Temperature; pH-value; Enzymatic reaction; stereoselective reaction;	63.9%

: 776-99-8
3,4-dimethoxyphenylacetone

: 74-88-4
methyl iodide

: 4461-99-8
3-(3,4-dimethoxyphenyl)-3-methylbutan-2-one

Conditions

Conditions	Yield
Stage #1: 3,4-dimethoxyphenylacetone With sodium hydride In tetrahydrofuran; mineral oil at -5 - 0℃; for 0.5h; Inert atmosphere; Stage #2: methyl iodide In tetrahydrofuran; mineral oil at 0 - 20℃; for 3h; Inert atmosphere;	93%

: 776-99-8
3,4-dimethoxyphenylacetone

: 74-89-5
methylamine

: 33236-61-2
1-(3,4-dimethoxyphenyl)-N-methylpropan-2-amine

Conditions

Conditions	Yield
Stage #1: 3,4-dimethoxyphenylacetone; methylamine With sodium tetrahydroborate In methanol; water at 4℃; for 0.5h; Stage #2: With hydrogenchloride In methanol; water pH=1; Stage #3: With sodium hydroxide In methanol; water pH=13;	92%
Stage #1: 3,4-dimethoxyphenylacetone; methylamine In methanol; water at 0℃; for 0.5h; Inert atmosphere; Stage #2: With sodium tetrahydroborate In methanol; water at 0 - 20℃; for 1.5h; Inert atmosphere;	69%
With hydrogen; palladium on activated charcoal In ethanol
With hydrogenchloride; sodium cyanoborohydride In methanol

: 776-99-8
3,4-dimethoxyphenylacetone

: 7568-93-6
2-Amino-1-phenylethanol

: 62717-86-6
N-[2-(3,4-dimethoxyphenyl)-1-methylethyl]-2-hydroxy-2-phenylethylamine

Conditions

Conditions	Yield
With sodium cyanoborohydride; acetic acid In methanol at 25℃; for 15h;	92%

: 776-99-8
3,4-dimethoxyphenylacetone

: 4635-59-0
4-Chlorobutanoyl chloride

: 1-(3-chloropropyl)-6,7-dimethoxy-3-methylbenzo[c]pyrylium hexachlorostannate

Conditions

Conditions	Yield
With tin(IV) chloride In dichloromethane for 3h; Heating;	92%

: 776-99-8
3,4-dimethoxyphenylacetone

: 75-04-7
ethylamine

: 33236-62-3
[2-(3,4-dimethoxy-phenyl)-1-methyl-ethyl]-ethyl amine

Conditions

Conditions	Yield
Stage #1: 3,4-dimethoxyphenylacetone; ethylamine With sodium cyanoborohydride; acetic acid In methanol at 0 - 20℃; for 96h; pH=6.5 - 7; Stage #2: With hydrogenchloride In methanol; water pH=1;	92%

: 776-99-8
3,4-dimethoxyphenylacetone

: 75-03-6
ethyl iodide

: 3-(3,4-dimethoxyphenyl)pentan-2-one

Conditions

Conditions	Yield
With N-benzyl-trimethylammonium hydroxide; sodium hydroxide In methanol at 10 - 60℃; for 6.25h;	91%

: 776-99-8
3,4-dimethoxyphenylacetone

: 3490-92-4
methyl 2-cyano-3,3-bis(methylsulfanyl)acrylate

: 136358-76-4
5-(3,4-dimethoxyphenyl)-6-methyl-4-(methylsulfanyl)-2-oxo-2H-pyran-3-carbonitrile

Conditions

Conditions	Yield
With potassium hydroxide In dimethyl sulfoxide	89%
With potassium hydroxide In N,N-dimethyl-formamide

: 776-99-8
3,4-dimethoxyphenylacetone

: 55718-52-0
1,1'-((4-chlorophenyl)methylene)diurea

: 4-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-6-methyl-3,4-dihydropyrimidin-2(1H)-one

Conditions

Conditions	Yield
With caesium carbonate In ethanol at 70℃; for 24h;	89%

: 504-29-0
2-aminopyridine

: 776-99-8
3,4-dimethoxyphenylacetone

: 3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-a]pyridine

Conditions

Conditions	Yield
With potassium hydrogencarbonate In acetonitrile at 80℃; for 5h;	86%

: 776-99-8
3,4-dimethoxyphenylacetone

: 454703-36-7
4-(4-methyl-1-piperidinyl)-6-(1-naphthyl)-2-oxo-2H-pyran-3-carbonitrile

: 3',4'-dimethoxy-2-methyl-4-(4"-methylpiperidin-1"-yl)-6-(naphthalen-1'''-yl)biphenyl-3-carbonitrile

Conditions

Conditions	Yield
With potassium hydroxide In N,N-dimethyl-formamide at 20℃; for 6h; Michael Addition;	85%

: 776-99-8
3,4-dimethoxyphenylacetone

: 17823-58-4
ethyl 2-cyano-3,3-di(methylsulfanyl)acrylate

: 136358-76-4
5-(3,4-dimethoxyphenyl)-6-methyl-4-(methylsulfanyl)-2-oxo-2H-pyran-3-carbonitrile

Conditions

Conditions	Yield
With potassium hydroxide In dimethyl sulfoxide at 20℃; for 10h;	84%
With potassium hydroxide In dimethyl sulfoxide at 20℃; for 10h;

: 776-99-8
3,4-dimethoxyphenylacetone

: 17356-08-0
thiourea

: 5-(3,4-dimethoxyphenyl)-4-methylthiazol-2-amine

Conditions

Conditions	Yield
With cesium bicarbonate; Bromotrichloromethane In acetonitrile at 80℃; for 2h;	83%

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.

Product Name

3,4-Dimethoxyphenylacetone

Synthetic route

3,4-Dimethoxyphenylacetone Chemical Properties

3,4-Dimethoxyphenylacetone Uses

3,4-Dimethoxyphenylacetone Toxicity Data With Reference

3,4-Dimethoxyphenylacetone Safety Profile

3,4-Dimethoxyphenylacetone Specification

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