3',4'-Methylenedioxyacetophenone supplier

Name
3,4-Methylenedioxyacetophenone
EINECS 221-613-1
CAS No. 3162-29-6
Article Data75
CAS DataBase
Density 1.242 g/cm³
Solubility Slightly soluble in water.
Melting Point 87-89 °C(lit.)
Formula C₉H₈O₃
Boiling Point 294.6 °C at 760 mmHg
Molecular Weight 164.161
Flash Point 122.8 °C
Transport Information
Appearance Beige solid.
Safety 37/39-26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Acetophenone,3,4-methylenedioxy- (3CI);Acetophenone, 3',4'-(methylenedioxy)- (6CI,7CI,8CI);1-(1,3-Benzodioxol-5-yl)ethanone;1-(Benz[d][1,3]dioxol-5-yl)ethanone;1-(Benzodioxol-5-yl)ethanone;1-Acetyl-3,4-(methylenedioxy)benzene;3,4-(Methylenedioxy)phenyl methyl ketone;3',4'-(Methylenedioxy)acetophenone;5-Acetyl-1,3-benzodioxole;Acetopiperone;Moskachan A;NSC 21866;
PSA 35.53000
LogP 1.61790

Synthetic route

: 274-09-9
Methylenedioxybenzene

: 108-24-7
acetic anhydride

: 3162-29-6
1-(benzo[d][1,3]dioxol-6-yl)ethanone

Conditions

Conditions	Yield
With trifluoroacetic acid at 20℃; for 1.5h; Friedel-Crafts Acylation;	98%
at 120℃; Friedel-Crafts Acylation;	90%
With diatomite-solid acid catalyst In 1,2-dichloro-ethane at 80℃; for 6h; Time; Friedel-Crafts Acylation;	90.3%

: 274-09-9
Methylenedioxybenzene

: 64-19-7
acetic acid

: 3162-29-6
1-(benzo[d][1,3]dioxol-6-yl)ethanone

Conditions

Conditions	Yield
In nitrobenzene at 80℃; Friedel-Crafts Acylation;	96%

: 6329-73-3, 91613-73-9, 120523-14-0
1-benzo[1,3]dioxol-5-yl-ethanol

: 3162-29-6
1-(benzo[d][1,3]dioxol-6-yl)ethanone

Conditions

Conditions	Yield
With 2,2'-bipyridinium chlorochromate In dichloromethane for 3.5h;	95%
With Dess-Martin periodane In dichloromethane at 0 - 20℃; for 16h; Inert atmosphere;	84%
With potassium phosphate; copper(l) iodide; 1,10-Phenanthroline In 1,4-dioxane at 80℃; Solvent; Time; Schlenk technique;	81%

: 121734-64-3
1-benzo[1,3]dioxol-5-yl-ethylamine

: 3162-29-6
1-(benzo[d][1,3]dioxol-6-yl)ethanone

Conditions

Conditions	Yield
With 4-phenylnaphthalene-1,2-dione In acetonitrile at 80℃; for 36h;	95%

: 274-09-9
Methylenedioxybenzene

: 75-36-5
acetyl chloride

: 3162-29-6
1-(benzo[d][1,3]dioxol-6-yl)ethanone

Conditions

Conditions	Yield
With indium(III) tosylate In dodecane; nitromethane for 2.5h; Friedel-Crafts Acylation; Schlenk technique; Reflux;	94%
With 10percent AlCl3 on polystyrene In dichloromethane at 45℃; Friedel-Crafts Acylation;	94%
With diatomite-solid acid catalyst In 1,2-dichloro-ethane at 80℃; for 6h; Friedel-Crafts Acylation;	71.5%
With carbon disulfide; aluminium trichloride at -15℃;
With aluminum (III) chloride In dichloromethane at -50℃; for 2h; Friedel-Crafts Acylation; Sealed tube; Inert atmosphere;

: methyl magnesium (1+); bromide

: 147030-72-6
benzo[1,3]dioxole-5-carboxylic acid methoxymethylamide

: 3162-29-6
1-(benzo[d][1,3]dioxol-6-yl)ethanone

Conditions

Conditions	Yield
In tetrahydrofuran at 0 - 20℃; for 2h; Inert atmosphere;	93%

: 120-58-1
isosafrole

: 3162-29-6
1-(benzo[d][1,3]dioxol-6-yl)ethanone

Conditions

Conditions	Yield
Stage #1: isosafrole With N-iodo-succinimide; cetyltrimethylammonim bromide In 1,4-dioxane; water at 115℃; for 0.25h; Microwave irradiation; Stage #2: With dipyridinium dichromate; acetic acid In 1,4-dioxane; water at 115℃; for 0.25h; Microwave irradiation;	86%

: 75-16-1
methylmagnesium bromide

: 147030-72-6
benzo[1,3]dioxole-5-carboxylic acid methoxymethylamide

: 3162-29-6
1-(benzo[d][1,3]dioxol-6-yl)ethanone

Conditions

Conditions	Yield
With benzotriazol-1-ol In tetrahydrofuran; diethyl ether at 0℃; for 1h;	85%

: 120-57-0
piperonal

: 75-16-1
methylmagnesium bromide

: 3162-29-6
1-(benzo[d][1,3]dioxol-6-yl)ethanone

Conditions

Conditions	Yield
Stage #1: piperonal; methylmagnesium bromide In tetrahydrofuran at 0℃; Green chemistry; Stage #2: With [bis(acetoxy)iodo]benzene at 0 - 20℃; Green chemistry;	80%

: 274-09-9
Methylenedioxybenzene

: 506-96-7
Acetyl bromide

: 3162-29-6
1-(benzo[d][1,3]dioxol-6-yl)ethanone

Conditions

Conditions	Yield
With diatomite-solid acid catalyst In 1,2-dichloro-ethane at 80℃; for 6h; Friedel-Crafts Acylation;	76%

: 783321-45-9
1-(benzo[d][1,3]dioxol-5-yl)-2,2-dibromoethan-1-one

A: 3162-29-6
1-(benzo[d][1,3]dioxol-6-yl)ethanone

B: 40288-65-1
1-(benzo[1,3]dioxol-5-yl)-2-bromoethanone

Conditions

Conditions	Yield
With water; 1-methyl-3-pentyl-1H-imidazolium tetrafluoroborate at 125℃; under 2585.74 Torr; for 0.0416667h; microwave irradiation;	A n/a B 75%

: 69672-52-2
S-2-(tert-butylcarbamoyl)phenyl ethanethioate

: 94839-07-3
3,4-(methylenedioxy)-benzeneboronic acid

: 3162-29-6
1-(benzo[d][1,3]dioxol-6-yl)ethanone

Conditions

Conditions	Yield
With air; Cu(I)-3-methylsalicylate In N,N-dimethyl-formamide at 50℃; Miyaura-Suzuki reaction;	75%

: 783321-45-9
1-(benzo[d][1,3]dioxol-5-yl)-2,2-dibromoethan-1-one

: 3162-29-6
1-(benzo[d][1,3]dioxol-6-yl)ethanone

Conditions

Conditions	Yield
With water; 1-methyl-3-pentyl-1H-imidazolium tetrafluoroborate at 125℃; under 2585.74 Torr; for 0.116667h; microwave irradiation;	70%

: 92449-54-2
5-(2,2-dibromovinyl)-1,3-benzodioxol

: 3162-29-6
1-(benzo[d][1,3]dioxol-6-yl)ethanone

Conditions

Conditions	Yield
With water; zinc at 275℃; for 4h;	66%

: 75-11-6
diiodomethane

: 1197-09-7
1-(3,4-dihydroxyphenyl)ethan-1-one

: 3162-29-6
1-(benzo[d][1,3]dioxol-6-yl)ethanone

Conditions

Conditions	Yield
With caesium carbonate In N,N-dimethyl-formamide Inert atmosphere;	65%

: 71095-26-6
1-(2′-bromo-4′,5′-methylenedioxyphenyl)ethan-1-one

A: 3162-29-6
1-(benzo[d][1,3]dioxol-6-yl)ethanone

B: 79422-58-5
1-(6'-Acetyl-[5,5']bi[benzo[1,3]dioxolyl]-6-yl)-ethanone

Conditions

Conditions	Yield
With bis(1,5-cyclooctadiene)nickel (0) In N,N-dimethyl-formamide 1.) - 78 deg C, 2.) 25 deg C, 10 min, 3.) 35 deg C, 12 h;	A 39% B 61%

: 88775-41-1
4-(3,4-methylenedioxyphenyl)-4-oxo-2-(3,4,5-trimethoxyphenyl)butyramide

A: 3162-29-6
1-(benzo[d][1,3]dioxol-6-yl)ethanone

B: 88775-49-9
(Z)-2-(3,4,5-trimethoxyphenyl)-4-(3,4-methylenedioxyphenyl)-4-oxo-2-butenoic acid

C: 88775-29-5
4-(3,4-methylenedioxyphenyl)-4-oxo-2-(3,4,5-trimethoxyphenyl)butyric acid

D: 118-41-2
Eudesmic acid

Conditions

Conditions	Yield
With sodium hydroxide In ethanol for 10h; Product distribution; Heating; var. condition;	A 16% B 18.5% C 44.7% D 13.6%
With sodium hydroxide In ethanol for 10h; Heating;	A 0.227 g B n/a C n/a D n/a
With sodium hydroxide In ethanol for 6h; Heating;	A 0.021 g B 0.056 g C 0.14 g D 0.023 g

...Expand

: 120-57-0
piperonal

: 18107-18-1
diazomethyl-trimethyl-silane

A: 3162-29-6
1-(benzo[d][1,3]dioxol-6-yl)ethanone

B: 7470-44-2
safrole 2',3'-oxide

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

Conditions

Conditions	Yield
With triethylamine In methanol; diethyl ether for 24h; Ambient temperature;	A 19% B 9% C 37%
With triethylamine In methanol; dichloromethane for 24h; Ambient temperature;	A 17% B 14% C 34%

...Expand

: 102831-07-2
2-azido-1-(benzo[d][1,3]dioxol-5-yl)ethan-1-one

A: 120-57-0
piperonal

B: 3162-29-6
1-(benzo[d][1,3]dioxol-6-yl)ethanone

C: benzo[1,3]dioxole-5-carboxylic acid (2-benzo[1,3]dioxol-5-yl-2-oxo-ethyl)amide

Conditions

Conditions	Yield
In toluene Photolysis;	A 19% B 7% C 30%

...Expand

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

: 120-57-0
piperonal

: 3162-29-6
1-(benzo[d][1,3]dioxol-6-yl)ethanone

Conditions

Conditions	Yield
With diethyl ether

: 25054-53-9
3,4-(methylenedioxy)benzoyl chloride

: 3162-29-6
1-(benzo[d][1,3]dioxol-6-yl)ethanone

Conditions

Conditions	Yield
With dimethylcadmium; benzene

: 62681-68-9
(E)-1-(benzo[d][1,3]dioxol-5-yl)ethan-1-one oxime

: 3162-29-6
1-(benzo[d][1,3]dioxol-6-yl)ethanone

Conditions

Conditions	Yield
With sulfuric acid

: 81581-27-3
ethyl 3-(benzo[d][1,3]dioxol-5-yl)-3-oxopropanoate

: 3162-29-6
1-(benzo[d][1,3]dioxol-6-yl)ethanone

Conditions

Conditions	Yield
With potassium hydroxide
With sulfuric acid

: 274-09-9
Methylenedioxybenzene

: 75-36-5
acetyl chloride

A: 3162-29-6
1-(benzo[d][1,3]dioxol-6-yl)ethanone

B: 75-11-6
diiodomethane

C: 635-67-6
dimethyl phthalate

D: 72712-21-1
3,4-diacetoxyacetophenone

Conditions

Conditions	Yield
With sodium iodide In acetonitrile for 6h; Product distribution; Ambient temperature;	A n/a B 40 % Chromat. C 43 % Chromat. D n/a

...Expand

: 104548-23-4
4-acetoxy-3-methoxycarbonyl-4-(3,4-methylenedioxyphenyl)but-3-ene-2-one

: 3162-29-6
1-(benzo[d][1,3]dioxol-6-yl)ethanone

Conditions

Conditions	Yield
With hydrogenchloride In methanol for 2h; Heating;
With sodium hydroxide In methanol for 2h; Heating;
With piperidine In methanol for 1h; Heating; further reagents: morpholine, piperazine;

: 917-54-4
methyllithium

: 4421-09-4
piperonylonitrile

: 3162-29-6
1-(benzo[d][1,3]dioxol-6-yl)ethanone

Conditions

Conditions	Yield
In tetrahydrofuran; diethyl ether at -78 - 20℃; for 2.5h;

: 120-57-0
piperonal

: 74-88-4
methyl iodide

: 3162-29-6
1-(benzo[d][1,3]dioxol-6-yl)ethanone

Conditions

Conditions	Yield
With N-chloro-succinimide; magnesium 1.) C6H6, THF, 10 min, 2.) C6H6, THF, a) 0 deg C, 5 min, b) RT, 25 min; Yield given. Multistep reaction;

: 676-58-4
methylmagnesium chloride

: 147030-72-6
benzo[1,3]dioxole-5-carboxylic acid methoxymethylamide

: 3162-29-6
1-(benzo[d][1,3]dioxol-6-yl)ethanone

Conditions

Conditions	Yield
In tetrahydrofuran Substitution;

12-bromo-11-oxy-3.4-methylenedioxy-1-propyl-benzene: 12-bromo-11-oxy-3.4-methylenedioxy-1-propyl-benzene

: 3162-29-6
1-(benzo[d][1,3]dioxol-6-yl)ethanone

Conditions

Conditions	Yield
With chromium(III) oxide; sulfuric acid

: 3162-29-6
1-(benzo[d][1,3]dioxol-6-yl)ethanone

: 62681-68-9
1-(benzo[d][1,3]dioxol-5-yl)ethan-1-one oxime

Conditions

Conditions	Yield
With hydroxylamine hydrochloride; triethylamine In ethanol for 25h;	100%
With hydroxylamine hydrochloride; sodium acetate In ethanol; water at 95℃;	100%
With sodium hydroxide; hydroxylamine hydrochloride In ethanol; water at 25 - 80℃; Inert atmosphere;	87%

: 3162-29-6
1-(benzo[d][1,3]dioxol-6-yl)ethanone

: 196929-78-9
(R)-2-methylpropane-2-sulfinamide

: (R)-N-(1-(benzo[d][1,3]dioxol-5-yl)ethylidene)-2-methylpropane-2-sulfinamide

Conditions

Conditions	Yield
With titanium(IV) tetraethanolate In tetrahydrofuran at 20℃; for 30h; Time; Reflux;	100%
With titanium(IV) tetraethanolate In tetrahydrofuran for 35.5h; Reflux;
With titanium (IV) ethoxide In tetrahydrofuran at 20℃; for 35.5h; Reflux;
With titanium(IV) tetraethanolate In tetrahydrofuran at 65℃; for 6h; Inert atmosphere;

: 498-62-4
3-thiophene carboxaldehyde

: 3162-29-6
1-(benzo[d][1,3]dioxol-6-yl)ethanone

: (E)-1-benzo[1,3]dioxol-5-yl-3-thiophen-3-ylpropenone

Conditions

Conditions	Yield
Stage #1: 1-(benzo[d][1,3]dioxol-6-yl)ethanone With lithium hydroxide In ethanol at 20℃; for 0.166667h; Large scale; Stage #2: 3-thiophene carboxaldehyde In ethanol at 20℃; Large scale;	99%
With sodium hydroxide In ethanol; water

: 3162-29-6
1-(benzo[d][1,3]dioxol-6-yl)ethanone

: 120523-14-0
(R)-1-(benzo[d][1,3]dioxol-5-yl)ethan-1-ol

Conditions

Conditions	Yield
With dimethylsulfide; dimethylsulfide borane complex; (S)-1-methyl-3,3-diphenyl-hexahydropyrrolo[1,2-c][1,3,2]oxazaborole In dichloromethane; toluene at 20℃; for 5h; Corey-Bakshi-Shibata reduction;	99%
With 1,1,1,3',3',3'-hexafluoro-propanol; C32H39BrMnN2O2P; potassium tert-butylate; hydrogen In methanol at 20℃; under 22502.3 Torr; for 16h; Glovebox; Autoclave; enantioselective reaction;	99%
With bromopentacarbonylmanganese(I); hydrogen; C45H43FeNP2; potassium hydroxide In methanol; toluene at 20℃; for 36h; enantioselective reaction;	99%

: 3162-29-6
1-(benzo[d][1,3]dioxol-6-yl)ethanone

: 179237-91-3
(S)-1-[3,4-(methylenedioxy)phenyl]-1-ethanol

Conditions

Conditions	Yield
With dimethylsulfide; dimethylsulfide borane complex; (R)-2-methyl-(CBS)-oxazaborolidine In dichloromethane; toluene at 20℃; for 5h;	99%
With dimethylsulfide; dimethylsulfide borane complex; (R)-2-methyl-CBS-oxaborolidine In dichloromethane; toluene at 20℃; for 5h; Corey-Bakshi-Shibata reduction;	99%
With bis(1,5-cyclooctadiene)diiridium(I) dichloride; C53H73FeN2O2PS; hydrogen; lithium tert-butoxide In isopropyl alcohol at 25 - 30℃; under 22801.5 Torr; for 12h; Autoclave; enantioselective reaction;	99%
With Lactobacillus fermentum P1 whole cells at 26.44℃; for 30.39h; pH=6.2; pH-value; Temperature;	n/a

: 3162-29-6
1-(benzo[d][1,3]dioxol-6-yl)ethanone

: 20000-96-8
5-(2-nitrophenyl)-2-furaldehyde

: 1352444-90-6
(2E)-1-(1',3'-benzodioxol-5-yl)-3-[5-(2-nitrophenyl)-furan-2-yl]-2-propen-1-one.

Conditions

Conditions	Yield
With potassium hydroxide In methanol at 20℃; for 24h; Aldol condensation;	99%
With potassium hydroxide In methanol; water at 20℃; for 24h; Aldol condensation;	99%

: 3162-29-6
1-(benzo[d][1,3]dioxol-6-yl)ethanone

: 3,4-(methylenedioxy)phenyl methyl ketone-d6

Conditions

Conditions	Yield
With 10% Pt/activated carbon; water-d2 In cyclohexane; isopropyl alcohol at 80℃; for 24h; Inert atmosphere;	99%

: 3162-29-6
1-(benzo[d][1,3]dioxol-6-yl)ethanone

: 4403-69-4
2-amino-1-benzylamine

: 6808-65-7
Dubamine

Conditions

Conditions	Yield
With copper(II) bis(trifluoromethanesulfonate); toluene-4-sulfonic acid In toluene at 100℃; for 36h; Schlenk technique; Sealed tube;	99%

: 3162-29-6
1-(benzo[d][1,3]dioxol-6-yl)ethanone

: 107-21-1
ethylene glycol

: C11H12O4

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In toluene; benzene at 110℃; for 20h; Dean-Stark;	99%

: 3162-29-6
1-(benzo[d][1,3]dioxol-6-yl)ethanone

: 1-(3,4-methylenedioxyphenyl)-2-iodoethanone

Conditions

Conditions	Yield
With iodine; copper(II) oxide In methanol for 1h; Heating;	98%
With iodine; Selectfluor In methanol at 22℃; for 26h;	75%
With iodine; copper(II) oxide In ethanol at 78℃;

: 3162-29-6
1-(benzo[d][1,3]dioxol-6-yl)ethanone

: 555-16-8
4-nitrobenzaldehdye

: 1-(benzo[d][1,3]dioxol-5-yl)-3-(4-nitrophenyl)prop-2-en-1-one

Conditions

Conditions	Yield
Stage #1: 1-(benzo[d][1,3]dioxol-6-yl)ethanone With lithium hydroxide monohydrate In methanol at 20℃; for 1h; Stage #2: 4-nitrobenzaldehdye In methanol at 20℃; for 3h;	97.9%
With potassium hydroxide In methanol; water at 20℃;	79%

: 3162-29-6
1-(benzo[d][1,3]dioxol-6-yl)ethanone

: 79-19-6
thiosemicarbazide

: 18087-38-2
1-(1,3-benzodioxol-5-yl)ethan-1-one thiosemicarbazone

Conditions

Conditions	Yield
In ethanol for 4h; Reflux;	97%
Stage #1: 1-(benzo[d][1,3]dioxol-6-yl)ethanone With acetic acid In methanol for 0.25h; Reflux; Stage #2: thiosemicarbazide In methanol Reflux;

: 3162-29-6
1-(benzo[d][1,3]dioxol-6-yl)ethanone

: 120-57-0
piperonal

Conditions

Conditions	Yield
With oxygen; copper(l) chloride In dimethyl sulfoxide at 120℃; under 60006 Torr;	97%

: 5344-90-1
2-Aminobenzyl alcohol

: 3162-29-6
1-(benzo[d][1,3]dioxol-6-yl)ethanone

: 6808-65-7
Dubamine

Conditions

Conditions	Yield
With iron(III) oxide; potassium tert-butylate In toluene for 15h; Inert atmosphere; Sealed tube;	97%
With potassium tert-butylate; oxygen In toluene at 130℃; for 24h; Friedlaender Quinoline Synthesis; Green chemistry;	91%
With [(p-cymene)Ru(BiBzImH2)Cl][Cl]; caesium carbonate In tert-Amyl alcohol at 125℃; for 12h;	81%

: 3162-29-6
1-(benzo[d][1,3]dioxol-6-yl)ethanone

: 26260-02-6
2-iodobenzaldehyde

: (E)-1-(benzo[d][1,3]dioxol-5-yl)-3-(2-iodophenyl)prop-2-en-1-one

Conditions

Conditions	Yield
Stage #1: 1-(benzo[d][1,3]dioxol-6-yl)ethanone With sodium hydroxide In ethanol; water at 0℃; for 0.0833333h; Stage #2: 2-iodobenzaldehyde In ethanol; water at 0 - 10℃;	97%

: 1899-24-7
5-bromo-2-furancarboxaldehyde

: 3162-29-6
1-(benzo[d][1,3]dioxol-6-yl)ethanone

: (E)-1-(benzo[d][1,3]dioxol-5-yl)-3-(5-bromofuran-2-yl)prop-2-en-1-one

Conditions

Conditions	Yield
With sodium hydroxide In ethanol; water at 20℃; for 16h; Claisen-Schmidt Condensation; Inert atmosphere; Microwave irradiation;	97%

: 3162-29-6
1-(benzo[d][1,3]dioxol-6-yl)ethanone

: 1433220-26-8
B-2-(2-methylallyl)-1,3,2-dioxaborinane

: 1433220-29-1
2-(benzo[d][1,3]dioxol-5-yl)-4-methylpent-4-en-2-ol

Conditions

Conditions	Yield
With tert-Amyl alcohol In neat (no solvent) at 23℃; Inert atmosphere;	96%

: 3162-29-6
1-(benzo[d][1,3]dioxol-6-yl)ethanone

: 72824-04-5
2-Allyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

: (S)-2-(benzo[d][1,3]dioxol-5-yl)pent-4-en-2-ol

Conditions

Conditions	Yield
Stage #1: 2-Allyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane With (S)-2-((2-hydroxy-3-(triphenylsilyl)benzyl)amino)-3-methyl-1-(pyrrolidin-1-yl)butan-1-one; sodium t-butanolate In tetrahydrofuran; methanol; toluene at -30℃; for 0.5h; Inert atmosphere; Stage #2: 1-(benzo[d][1,3]dioxol-6-yl)ethanone In tetrahydrofuran; methanol; toluene at -30℃; for 8h; Inert atmosphere; enantioselective reaction;	96%

: 3162-29-6
1-(benzo[d][1,3]dioxol-6-yl)ethanone

: 343338-28-3
(S)-2-methylpropane-2-sulfinamide

: (E)-N-(1-(benzo[d][1,3]dioxol-5-yl)ethylidene)-2-methylpropane-2-sulfonamide

Conditions

Conditions	Yield
Stage #1: 1-(benzo[d][1,3]dioxol-6-yl)ethanone; (S)-2-methylpropane-2-sulfinamide With titanium(IV) tetraethanolate In tetrahydrofuran Inert atmosphere; Reflux; Stage #2: With 3-chloro-benzenecarboperoxoic acid In dichloromethane at 0 - 20℃; for 0.166667h; Inert atmosphere;	96%

: 3162-29-6
1-(benzo[d][1,3]dioxol-6-yl)ethanone

: 118-75-2
chloranil

: 5-acetyl-2-(4-hydroxy-2,3,5,6-tetrachlorophenoxy)-1,3-benzodioxole

Conditions

Conditions	Yield
In benzene for 3h; Irradiation;	95%

: 3162-29-6
1-(benzo[d][1,3]dioxol-6-yl)ethanone

: 6329-73-3, 91613-73-9, 120523-14-0
1-benzo[1,3]dioxol-5-yl-ethanol

Conditions

Conditions	Yield
With sodium tetrahydroborate In methanol; dichloromethane at 0℃; for 0.5h;	95%
With sodium tetrahydroborate; nickel(II) phthalocyanine In PEG-400 at 20℃; for 0.75h; chemoselective reaction;	95%
With C28H35ClCoN5(1+)*Cl(1-); potassium tert-butylate; hydrogen In tetrahydrofuran at 20℃; under 22502.3 Torr; for 16h; Autoclave;	92%

: 3162-29-6
1-(benzo[d][1,3]dioxol-6-yl)ethanone

: 121734-64-3
1-benzo[1,3]dioxol-5-yl-ethylamine

Conditions

Conditions	Yield
Stage #1: 1-(benzo[d][1,3]dioxol-6-yl)ethanone With aluminium(III) triflate; (carbonyl)(chloro)(hydrido)tris(triphenylphosphine)ruthenium(II); ammonia; 1,2-bis-(diphenylphosphino)ethane In dodecane; toluene at -5℃; under 4500.45 Torr; for 0.5h; Autoclave; Stage #2: With hydrogen In dodecane; toluene at 140℃; under 30003 Torr; for 16h; Acidic conditions; chemoselective reaction;	95%
With 4-methoxy-N-(1-(naphthalen-2-yl)ethylidene)aniline; ammonium formate In methanol at 80℃; for 12h; Inert atmosphere; chemoselective reaction;	92%
With ammonia; hydrogen In tetrahydrofuran at 120℃; for 15h;	89%

: 3162-29-6
1-(benzo[d][1,3]dioxol-6-yl)ethanone

: 73568-29-3
2-chloro-6-methoxyquinolin-3-carboxaldehyde

: 1352444-88-2
(2E)-1-(1',3'-benzodioxol-5-yl)-3-(2-chloro-6-methoxyquinolin-3-yl)-2-propen-1-one

Conditions

Conditions	Yield
With potassium hydroxide In methanol at 20℃; for 24h; Aldol condensation;	95%
With potassium hydroxide In methanol; water at 20℃; for 24h; Aldol condensation;	95%

: 3162-29-6
1-(benzo[d][1,3]dioxol-6-yl)ethanone

: 3392-97-0
2,6-dimethoxybenzaldehyde

: 1352444-80-4
(E)-1-(benzo[d][1,3]dioxol-5-yl)-3-(2,6-dimethoxyphenyl)prop-2-en-1-one

Conditions

Conditions	Yield
Stage #1: 1-(benzo[d][1,3]dioxol-6-yl)ethanone With sodium hydroxide In ethanol; water at 20℃; for 0.0833333h; Claisen-Schmidt Condensation; Stage #2: 2,6-dimethoxybenzaldehyde at 20℃; Claisen-Schmidt Condensation;	95%

: 3162-29-6
1-(benzo[d][1,3]dioxol-6-yl)ethanone

: 115262-01-6
[bromo(difluoro)methyl](trimethyl)silane

: 1-(benzo[d][1,3]dioxol-5-yl)-2-fluoroprop-2-en-1-one

Conditions

Conditions	Yield
Stage #1: 1-(benzo[d][1,3]dioxol-6-yl)ethanone; [bromo(difluoro)methyl]-trimethyl-silane With tetrabutylammomium bromide In toluene at 110℃; for 6h; Sealed tube; Stage #2: With tetrabutyl ammonium fluoride In tetrahydrofuran; toluene at 20℃; for 3h; Sealed tube;	95%

: 3162-29-6
1-(benzo[d][1,3]dioxol-6-yl)ethanone

: 6515-21-5
4-methoxymethoxy-benzaldehyde

: (E)-1-(benzo[d][1,3]dioxol-5-yl)-3-(4-(methoxymethoxy)phenyl)prop-2-en-1-one

Conditions

Conditions	Yield
With sodium hydroxide In methanol; water at 20℃; Claisen-Schmidt Condensation;	95%

3',4'-Methylenedioxyacetophenone Specification

The Ethanone,1-(1,3-benzodioxol-5-yl)-, with CAS registry number 3162-29-6, belongs to the following product categories: (1)Aromatic Acetophenones & Derivatives (substituted); (2)Adehydes, Acetals & Ketones; (3)C9; (4)Carbonyl Compounds; (5)Ketones. It has the systematic name of 1-(1,3-benzodioxol-5-yl)ethanone. This chemical is a kind of beige crystalline powder.

Physical properties of Ethanone,1-(1,3-benzodioxol-5-yl)-: (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.78; (4)ACD/LogD (pH 7.4): 1.78; (5)ACD/BCF (pH 5.5): 13.19; (6)ACD/BCF (pH 7.4): 13.19; (7)ACD/KOC (pH 5.5): 220.55; (8)ACD/KOC (pH 7.4): 220.55; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.555; (14)Molar Refractivity: 42.44 cm³; (15)Molar Volume: 132.1 cm³; (16)Polarizability: 16.82×10^-24cm³; (17)Surface Tension: 48 dyne/cm; (18)Enthalpy of Vaporization: 53.42 kJ/mol; (19)Vapour Pressure: 0.00161 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-benzo[1,3]dioxol-5-yl-ethanol. This reaction will need reagent Jones reagent.

Uses of Ethanone,1-(1,3-benzodioxol-5-yl)-: it can be used to produce 1-(6-nitro-benzo[1,3]dioxol-5-yl)-ethanone. This reaction will need reagent cc. HNO₃. The reaction time is 1 hour(s) with reaction temperature of 10 - 15 ℃. The yield is about 68%.

When you are using this chemical, please be cautious about it as the following:
The Ethanone,1-(1,3-benzodioxol-5-yl)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc2OCOc2c1)C
(2)InChI: InChI=1/C9H8O3/c1-6(10)7-2-3-8-9(4-7)12-5-11-8/h2-4H,5H2,1H3
(3)InChIKey: BMHMKWXYXFBWMI-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C9H8O3/c1-6(10)7-2-3-8-9(4-7)12-5-11-8/h2-4H,5H2,1H3
(5)Std. InChIKey: BMHMKWXYXFBWMI-UHFFFAOYSA-N

Product Name

3,4-Methylenedioxyacetophenone

Synthetic route

3',4'-Methylenedioxyacetophenone Specification

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