3,4-(Methylenedioxy)phenylacetic acid supplier

Name
3,4-(Methylenedioxy)phenylacetic acid
EINECS 220-679-9
CAS No. 2861-28-1
Article Data36
CAS DataBase
Density 1.407 g/cm³
Solubility Soluble in water (partly), ethanol, and methanol.
Melting Point 125-129 °C(lit.)
Formula C₉H₈O₄
Boiling Point 340.6 °C at 760 mmHg
Molecular Weight 180.16
Flash Point 142.4 °C
Transport Information
Appearance beige to pale yellow micro-crystalline powder
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Aceticacid, [3,4-(methylenedioxy)phenyl]- (6CI,7CI,8CI);(3,4-Methylenedioxy)phenylacetic acid;(Benzodioxol-5-yl)acetic acid;2-(1,3-Benzodioxol-5-yl)acetic acid;2-(3,4-Methylenedioxyphenyl)acetic acid;2-(Benzo[d][1,3]dioxol-5-yl)acetic acid;3,4-(Methylenedioxy)benzene-1-aceticacid;Homopiperonylic acid;NSC 119057;NSC 14364;Piperonylacetic acid;
PSA 55.76000
LogP 1.04240

Synthetic route

: 4439-02-5
3,4-methylenedioxyphenylacetonitrile

: 2861-28-1
1,3-benzodioxole-5-acetic acid

Conditions

Conditions	Yield
With sodium hydroxide In methanol Hydrolysis;	100%

: 326-59-0
benzo[1,3]dioxol-5-yl-acetic acid methyl ester

: 2861-28-1
1,3-benzodioxole-5-acetic acid

Conditions

Conditions	Yield
Stage #1: benzo[1,3]dioxol-5-yl-acetic acid methyl ester With potassium hydroxide; water In methanol for 3h; Heating / reflux; Stage #2: With hydrogenchloride In water pH=1;	99%
With 20percent aq. KOH In methanol for 3h; Heating;	97%

: 27738-46-1
3,4-(methylenedioxy)mandelic acid

: 2861-28-1
1,3-benzodioxole-5-acetic acid

Conditions

Conditions	Yield
With phosphonic Acid; methanesulfonic acid; sodium iodide In water at 40℃; for 48h; Inert atmosphere;	98.4%

: 79054-42-5
((E)-2-Benzo[1,3]dioxol-5-yl-1-dimethylamino-vinyl)-phosphonic acid diethyl ester

: 2861-28-1
1,3-benzodioxole-5-acetic acid

Conditions

Conditions	Yield
With hydrogen bromide at 100℃; for 0.166667h;	95%
With water; hydrogen bromide at 100℃; for 0.166667h; Inert atmosphere;	95%

: C18H18O6

: 2861-28-1
1,3-benzodioxole-5-acetic acid

Conditions

Conditions	Yield
With sodium hypochlorite In acetonitrile at 20℃; for 3.5h;	88%

: 26664-86-8
(benzo[1,3]dioxol-5-yl)acetic acid ethyl ester

: 2861-28-1
1,3-benzodioxole-5-acetic acid

Conditions

Conditions	Yield
With sodium hydroxide In tetrahydrofuran for 1.5h; Ambient temperature;	87%

: 6543-34-6
benzo[1,3]dioxol-5-yl-acetaldehyde

: 2861-28-1
1,3-benzodioxole-5-acetic acid

Conditions

Conditions	Yield
With jones reagent In acetone at 0℃;	75%

: 124-38-9
carbon dioxide

: 112101-21-0
1-(benzo[d][1,3]dioxol-5-yl)-N,N,N-trimethylmethanammonium iodide

: 2861-28-1
1,3-benzodioxole-5-acetic acid

Conditions

Conditions	Yield
Stage #1: carbon dioxide; N,N,N-trimethyl-(3',4'-methylenedioxyphenyl)methylammonium iodide With manganese; 2,9-dibutyl-4,7-dimethyl-1,10-phenanthroline; nickel(II) bromide diethylene glycol dimethyl ether In N,N-dimethyl-formamide at 90℃; under 760.051 Torr; for 72h; Schlenk technique; Stage #2: With hydrogenchloride In water; N,N-dimethyl-formamide at 20℃; Schlenk technique; chemoselective reaction;	70%

Yield

Stage #1: carbon dioxide; N,N,N-trimethyl-(3',4'-methylenedioxyphenyl)methylammonium iodide With manganese; 2,9-dibutyl-4,7-dimethyl-1,10-phenanthroline; nickel(II) bromide diethylene glycol dimethyl ether In N,N-dimethyl-formamide at 90℃; under 760.051 Torr; for 72h; Schlenk technique;
Stage #2: With hydrogenchloride In water; N,N-dimethyl-formamide at 20℃; Schlenk technique; chemoselective reaction;

70%

: 94-59-7
1-allyl-3,4-methylenedioxybenzene

: 2861-28-1
1,3-benzodioxole-5-acetic acid

Conditions

Conditions	Yield
With potassium permanganate; tetradecyldimethylbenzylammonium chloride dihydrate; acetic acid In water; acetone; benzene for 72h; cooling;	58%
With permanganate(VII) ion
Multi-step reaction with 2 steps 1: 1.) O3/O2, 2.) Zn, CH3COOH / 1.) CH3COOH, 0 deg C, 2.) 0 deg C, 2 h 2: 75 percent / Jones reagent / acetone / 0 °C View Scheme

: 62396-98-9
benzo[1,3]dioxol-5-yl-oxo-acetic acid

: 2861-28-1
1,3-benzodioxole-5-acetic acid

Conditions

Conditions	Yield
Stage #1: benzo[1,3]dioxol-5-yl-oxo-acetic acid With hydrazine hydrate; potassium hydroxide at 0 - 110℃; Stage #2: With hydrogenchloride at 0℃; pH=3 - 4;	45%

: 94-59-7
1-allyl-3,4-methylenedioxybenzene

A: 94-53-1
Piperonylic acid

B: 2861-28-1
1,3-benzodioxole-5-acetic acid

Conditions

Conditions	Yield
With potassium permanganate; acetic acid

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

A: 94-53-1
Piperonylic acid

B: 2861-28-1
1,3-benzodioxole-5-acetic acid

Conditions

Conditions	Yield
With sodium hypobromide

: 884-18-4
β-(benzo[1,3]dioxol-5-yl)pyruvic acid

: 2861-28-1
1,3-benzodioxole-5-acetic acid

Conditions

Conditions	Yield
With dihydrogen peroxide

: 79054-42-5
((E)-2-Benzo[1,3]dioxol-5-yl-1-dimethylamino-vinyl)-phosphonic acid diethyl ester

A: 2861-28-1
1,3-benzodioxole-5-acetic acid

B: 79054-52-7
((E)-2-Benzo[1,3]dioxol-5-yl-1-hydroxy-vinyl)-phosphonic acid diethyl ester

C: 79054-51-6
(2-Benzo[1,3]dioxol-5-yl-acetyl)-phosphonic acid diethyl ester

D: 762-04-9
phosphonic acid diethyl ester

Conditions

Conditions	Yield
With hydrogenchloride Product distribution; Ambient temperature; effect of concentration of HCl, of reaction time and temperature;

...Expand

: 1-((Z)-2-Benzo[1,3]dioxol-5-yl-1-methoxy-vinyl)-1H-benzotriazole

: 2861-28-1
1,3-benzodioxole-5-acetic acid

Conditions

Conditions	Yield
With hydrogenchloride; zinc dibromide 1.) 1,4-dioxane, reflux, 1 h, 2.) 1,4-dioxane, reflux, 4 h; Yield given. Multistep reaction;

: ((E)-2-Benzo[1,3]dioxol-5-yl-1-piperidin-1-yl-vinyl)-phosphonic acid diethyl ester

: 2861-28-1
1,3-benzodioxole-5-acetic acid

Conditions

Conditions	Yield
With hydrogenchloride for 0.5h; Heating; Yield given;

α'-nitro-α-<3.4-methylenedioxy-phenyl>-acetone: α'-nitro-α-<3.4-methylenedioxy-phenyl>-acetone

: 2861-28-1
1,3-benzodioxole-5-acetic acid

Conditions

Conditions	Yield
With potassium permanganate

3.4-methylenedioxy-mandelic acid: 3.4-methylenedioxy-mandelic acid

: 2861-28-1
1,3-benzodioxole-5-acetic acid

Conditions

Conditions	Yield
With hydrogen bromide; acetic acid Behandeln des Reaktionsprodukts mit Zink und Salzsaeure;

: 49711-55-9
(E)-3-(benzo[d][1,3]dioxol-5-yl)-2-cyanoacrylic acid

aqueous alkaline sodium hypochlorite solution: aqueous alkaline sodium hypochlorite solution

: 2861-28-1
1,3-benzodioxole-5-acetic acid

homopiperonylic acid nitrile: homopiperonylic acid nitrile

: 2861-28-1
1,3-benzodioxole-5-acetic acid

Conditions

Conditions	Yield
With potassium hydroxide

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

sodium hypobromite: sodium hypobromite

A: 94-53-1
Piperonylic acid

B: 2861-28-1
1,3-benzodioxole-5-acetic acid

...Expand

: 94-59-7
1-allyl-3,4-methylenedioxybenzene

A: 2861-28-1
1,3-benzodioxole-5-acetic acid

B homopiperonal: homopiperonal

Conditions

Conditions	Yield
With water; benzene bei der Ozonisation;

safrole glycol: safrole glycol

A: 2861-28-1
1,3-benzodioxole-5-acetic acid

B piperonal; piperonylic acid: piperonal; piperonylic acid

Conditions

Conditions	Yield
With potassium permanganate

: 4439-02-5
3,4-methylenedioxyphenylacetonitrile

A: 5661-47-2
(1,3-benzodioxol-5-ylmethyl)-amide

B: 2861-28-1
1,3-benzodioxole-5-acetic acid

Conditions

Conditions	Yield
With potassium phosphate buffer; lyophilized Zea mays nitrilase ZmNIT2 EC 3.5.5.1 In water at 30℃; for 14h; pH=7.15; Title compound not separated from byproducts;

: 102-32-9
3,4-dihydroxyphenylacetate

: 2861-28-1
1,3-benzodioxole-5-acetic acid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 97 percent / conc. H2SO4 / 3 h / Heating 2: 55 percent / CsF / dimethylformamide / 3 h / Heating 3: 97 percent / 20percent aq. KOH / methanol / 3 h / Heating View Scheme
Multi-step reaction with 3 steps 1.1: sulfuric acid / 3 h / Heating / reflux 2.1: cesium fluoride / N,N-dimethyl-formamide / 12 h / 90 °C 3.1: potassium hydroxide; water / methanol / 3 h / Heating / reflux 3.2: pH 1 View Scheme

: 25379-88-8
2-(3,4-dihydroxyphenyl)acetic acid methyl ester

: 2861-28-1
1,3-benzodioxole-5-acetic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 55 percent / CsF / dimethylformamide / 3 h / Heating 2: 97 percent / 20percent aq. KOH / methanol / 3 h / Heating View Scheme
Multi-step reaction with 2 steps 1.1: cesium fluoride / N,N-dimethyl-formamide / 12 h / 90 °C 2.1: potassium hydroxide; water / methanol / 3 h / Heating / reflux 2.2: pH 1 View Scheme

: 120-57-0
piperonal

hydrogen sulfide remaining ammonium polysulfide: hydrogen sulfide remaining ammonium polysulfide

: 2861-28-1
1,3-benzodioxole-5-acetic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 1.) n-BuLi / 1.) THF, cyclohexane, -78 deg C, 1 h, 2.) THF, cyclohexane, a) -78 deg C, 1 h, b) from -78 deg C to RT, overnight 2: 1.) ZnBr2, 2.) aq. HCl / 1.) 1,4-dioxane, reflux, 1 h, 2.) 1,4-dioxane, reflux, 4 h View Scheme

: 120-57-0
piperonal

alkali: alkali

A: 2861-28-1
1,3-benzodioxole-5-acetic acid

B piperonal; piperonylic acid: piperonal; piperonylic acid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 76 percent / NaOH / 3 h / 80 °C 2: 90 percent / copper(II) chloride dihydrate, HCl / 23 h / Heating 3: 87 percent / 1N NaOH / tetrahydrofuran / 1.5 h / Ambient temperature View Scheme

...Expand

: 35453-09-9
2-(3,4-methylenedioxyphenyl)-1-(methylsulfinyl)-1-(methylthio)ethylene

A: 2861-28-1
1,3-benzodioxole-5-acetic acid

B piperonal; piperonylic acid: piperonal; piperonylic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 90 percent / copper(II) chloride dihydrate, HCl / 23 h / Heating 2: 87 percent / 1N NaOH / tetrahydrofuran / 1.5 h / Ambient temperature View Scheme

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

: 2861-28-1
1,3-benzodioxole-5-acetic acid

: 326-59-0
benzo[1,3]dioxol-5-yl-acetic acid methyl ester

Conditions

Conditions	Yield
In 1,4-dioxane; diethyl ether	100%

: 2861-28-1
1,3-benzodioxole-5-acetic acid

: 6845-81-4
3,4-methylenedioxyphenylacetyl chloride

Conditions

Conditions	Yield
With oxalyl dichloride; N,N-dimethyl-formamide In toluene at 20℃; for 1h; Inert atmosphere;	100%
With oxalyl dichloride In N,N-dimethyl-formamide; toluene at 20℃; for 1h;	97%
With thionyl chloride In dichloromethane for 1h; Heating;

: 2861-28-1
1,3-benzodioxole-5-acetic acid

: 6006-82-2
3,4-methylenedioxyphenethyl alcohol

Conditions

Conditions	Yield
With dimethylsulfide borane complex In tetrahydrofuran at 25 - 30℃; for 1.25h;	100%
With sodium tetrahydroborate; iodine	100%
With borane tetrahydrofuran In tetrahydrofuran at 0 - 20℃; for 1h;	98%

: 67-56-1
methanol

: 2861-28-1
1,3-benzodioxole-5-acetic acid

: 326-59-0
benzo[1,3]dioxol-5-yl-acetic acid methyl ester

Conditions

Conditions	Yield
With acetyl chloride In various solvent(s)	100%
With oxalyl dichloride at 0℃;	95%
With oxalyl dichloride at 0℃; for 0.5h;	95%

: 2861-28-1
1,3-benzodioxole-5-acetic acid

: 120-20-7
2-(3,4-dimethoxyphenyl)-ethylamine

: 42971-27-7
2-(benzo[d][1,3]dioxol-5-yl)-N-(3,4-dimethoxyphenethyl)acetamide

Conditions

Conditions	Yield
With 1,1'-carbonyldiimidazole In tetrahydrofuran	99%
Stage #1: 1,3-benzodioxole-5-acetic acid With 1,1'-carbonyldiimidazole In tetrahydrofuran at 0 - 20℃; for 3.5h; Inert atmosphere; Stage #2: 2-(3,4-dimethoxyphenyl)-ethylamine In tetrahydrofuran at 0 - 20℃; for 15.5h; Inert atmosphere;	80%
at 190 - 210℃; for 2h;	73%

: 2861-28-1
1,3-benzodioxole-5-acetic acid

: 5470-14-4
(6-bromobenzo[1,3]dioxol-5-yl)acetic acid

Conditions

Conditions	Yield
With bromine In chloroform at 20℃; for 2h;	99%
With bromine; acetic acid at 23℃; for 18h;	97%
With N-Bromosuccinimide In dichloromethane at 20℃; for 2h;	92%

: 2861-28-1
1,3-benzodioxole-5-acetic acid

: 64-04-0
phenethylamine

: 1427329-53-0
2-(2H-1,3-benzodioxol-5-yl)-N-(2-phenylethyl)acetamide

Conditions

Conditions	Yield
In neat (no solvent) at 150℃; for 0.5h; Microwave irradiation;	99%

: 2861-28-1
1,3-benzodioxole-5-acetic acid

: 774-18-5
2-(2-(trifluoromethyl)phenyl)ethan-1-amine

: 1427329-55-2
2-(2H-1,3-benzodioxol-5-yl)-N-{2-[2-(trifluoromethyl)phenyl]ethyl}acetamide

Conditions

Conditions	Yield
In neat (no solvent) at 150℃; for 0.5h; Microwave irradiation;	99%

BH3.THF: BH3.THF

: 2861-28-1
1,3-benzodioxole-5-acetic acid

: 6006-82-2
3,4-methylenedioxyphenethyl alcohol

Conditions

Conditions	Yield
In tetrahydrofuran; water	98%

BH3THF: BH3THF

: 2861-28-1
1,3-benzodioxole-5-acetic acid

: 6006-82-2
3,4-methylenedioxyphenethyl alcohol

Conditions

Conditions	Yield
In tetrahydrofuran; water	98%
In tetrahydrofuran; water	98%
In tetrahydrofuran; water	98%

BH3 THF: BH3 THF

: 2861-28-1
1,3-benzodioxole-5-acetic acid

: 6006-82-2
3,4-methylenedioxyphenethyl alcohol

Conditions

Conditions	Yield
In tetrahydrofuran; water	98%

: 2861-28-1
1,3-benzodioxole-5-acetic acid

: 55-81-2
4-Methoxyphenethylamine

: 1395084-65-7
2-(2H-1,3-benzodioxol-5-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide

Conditions

Conditions	Yield
In neat (no solvent) at 150℃; for 0.5h; Microwave irradiation;	98%
In 5,5-dimethyl-1,3-cyclohexadiene for 16h; Reflux; Inert atmosphere;	80%

: 524-38-9
N-hydroxyphthalimide

: 2861-28-1
1,3-benzodioxole-5-acetic acid

: 1,3-dioxoisoindolin-2-yl 2-(benzo[d][1,3]dioxol-5-yl)acetate

Conditions

Conditions	Yield
With dmap; diisopropyl-carbodiimide In tetrahydrofuran at 20℃; Inert atmosphere;	96%
With dmap; diisopropyl-carbodiimide In dichloromethane at 20℃; for 0.5h;	83%

: 2861-28-1
1,3-benzodioxole-5-acetic acid

: 80376-85-8
N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-N-methylamine hydrochloride

: 2-Benzo[1,3]dioxol-5-yl-N-methyl-N-(1,2,3,4-tetrahydro-naphthalen-1-ylmethyl)-acetamide

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In tetrahydrofuran for 18h; Ambient temperature;	95%

: 74-96-4
ethyl bromide

: 2861-28-1
1,3-benzodioxole-5-acetic acid

: 26664-86-8
(benzo[1,3]dioxol-5-yl)acetic acid ethyl ester

Conditions

Conditions	Yield
With tetradecyl(trihexyl)phosphonium bistriflamide; N-ethyl-N,N-diisopropylamine at 30℃;	95%
With tetradecyl(trihexyl)phosphonium bistriflimide; N-ethyl-N,N-diisopropylamine at 30℃; for 12h;	95%

: 2861-28-1
1,3-benzodioxole-5-acetic acid

: 75-26-3
isopropyl bromide

: isopropyl 2-(3,4-methylenedioxyphenyl)acetate

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile for 6h; Reflux;	95%
With tetradecyl(trihexyl)phosphonium bistriflamide; N-ethyl-N,N-diisopropylamine at 40℃;	93%
With tetradecyl(trihexyl)phosphonium bistriflimide; N-ethyl-N,N-diisopropylamine at 40℃; for 12h;	93%

: 2861-28-1
1,3-benzodioxole-5-acetic acid

: 3282-30-2
pivaloyl chloride

: 250261-64-4
2-(3,4-Methylenedioxyphenyl)acetic pivalic anhydride

Conditions

Conditions	Yield
With triethylamine In diethyl ether at -78 - 0℃; for 1h; Substitution;	94%
With triethylamine In diethyl ether at -78℃; for 1h;	80%
With triethylamine In diethyl ether at -78 - 0℃; Acylation;

: 55455-92-0
1-(3-phenylpropyl)piperazine

: 2861-28-1
1,3-benzodioxole-5-acetic acid

: 2-(3,4-methylenedioxy)phenyl-1-(4-(3-phenylpropyl)piperazin-1-yl)ethanone

Conditions

Conditions	Yield
With 4-methyl-morpholine; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 0 - 20℃; Inert atmosphere;	94%

: 2861-28-1
1,3-benzodioxole-5-acetic acid

: 1131-62-0
1-(3,4-dimethoxyphenyl)ethanone

: benzo[1,3]dioxol-5-ylacetic acid 8-(3,4-dimethoxyphenyl)naphtho[2,3-d][1,3]dioxol-6-yl ester

Conditions

Conditions	Yield
Stage #1: 1,3-benzodioxole-5-acetic acid With phosphoric acid; trifluoroacetic anhydride In acetonitrile at 25℃; for 0.5h; Stage #2: 1-(3,4-dimethoxyphenyl)ethanone In acetonitrile at 25 - 80℃; for 20h;	93%

: 2861-28-1
1,3-benzodioxole-5-acetic acid

: 97-51-8
5-Nitrosalicylaldehyde

: 753470-29-0
3-(1,3-benzodioxol-5-yl)-6-nitro-2H-chromen-2-one

Conditions

Conditions	Yield
With potassium acetate In acetic anhydride for 49h; Perkin-Oglialoro reaction; Heating;	91%
With potassium acetate; acetic anhydride Heating;	30%

: 2861-28-1
1,3-benzodioxole-5-acetic acid

: ammonium chloride

: 6006-82-2
3,4-methylenedioxyphenethyl alcohol

Conditions

Conditions	Yield
	90%
	90%
	90%

: 2861-28-1
1,3-benzodioxole-5-acetic acid

: 611-73-4
Benzoylformic acid

: 213481-12-0
BPD

Conditions

Conditions	Yield
With acetic anhydride for 3h; Heating / reflux;	90%
With acetic anhydride Reflux;

: 2861-28-1
1,3-benzodioxole-5-acetic acid

: 5661-47-2
(1,3-benzodioxol-5-ylmethyl)-amide

Conditions

Conditions	Yield
With 1H-imidazole; urea In octane at 120℃; for 24h; Reagent/catalyst;	90%
Stage #1: 1,3-benzodioxole-5-acetic acid With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In dichloromethane; N,N-dimethyl-formamide at 20℃; for 1h; Stage #2: With ammonia; ammonium chloride In methanol; dichloromethane; N,N-dimethyl-formamide for 2h;

: 2861-28-1
1,3-benzodioxole-5-acetic acid

: 5398-77-6
para-methanesulfonylbenzaldehyde

: 1430809-12-3
C17H14O6S

Conditions

Conditions	Yield
With potassium acetate; acetic anhydride at 100℃; for 19h; Perkin Carboxylic Acid Synthesis;	89%

: 2861-28-1
1,3-benzodioxole-5-acetic acid

: 86-81-7
3,4,5-trimethoxy-benzaldehyde

: 5-(3,4,5-trimethoxyphenyl)-5,8-dihydro[1,3]dioxolo[4,5-g]isochromen-7-one

Conditions

Conditions	Yield
Stage #1: 1,3-benzodioxole-5-acetic acid With trifluoroacetic anhydride In acetonitrile at 25℃; for 0.166667h; Green chemistry; Stage #2: 3,4,5-trimethoxy-benzaldehyde In acetonitrile at 25℃; for 10h; Green chemistry;	88%
Stage #1: 1,3-benzodioxole-5-acetic acid With trifluoroacetic anhydride In acetonitrile at 25℃; for 0.166667h; Pictet-Spengler Synthesis; Stage #2: 3,4,5-trimethoxy-benzaldehyde In acetonitrile at 25℃; for 10h; Pictet-Spengler Synthesis;

3,4-(Methylenedioxy)phenylacetic acid Specification

The 3,4-(Methylenedioxy)phenylacetic acid, with the CAS registry number 2861-28-1, is also known as (Benzodioxol-5-yl)acetic acid. It belongs to the product categories of Aromatic Phenylacetic Acids and Derivatives; Organic acids. Its EINECS number is 220-679-9. This chemical's molecular formula is C₉H₈O₄ and formula weight is 180.16. What's more, its IUPAC name is 2-(1,3-benzodioxol-5-yl)acetic acid.

Physical properties of 3,4-(Methylenedioxy)phenylacetic acid are: (1)ACD/LogP: 1.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.15; (4)ACD/LogD (pH 7.4): -1.64; (5)ACD/BCF (pH 5.5): 1; (6)ACD/KOC (pH 5.5): 7.95; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 44.76 Å²; (11)Index of Refraction: 1.595; (12)Molar Refractivity: 43.52 cm³; (13)Molar Volume: 128 cm³; (14)Surface Tension: 63.1 dyne/cm; (15)Density: 1.406 g/cm³; (16)Flash Point: 142.4 °C; (17)Enthalpy of Vaporization: 61.65 kJ/mol; (18)Boiling Point: 340.6 °C at 760 mmHg; (19)Vapour Pressure: 3.29E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by benzo[1,3]dioxol-5-yl-acetic acid ethyl ester at the ambient temperature. This reaction will need reagent 1N NaOH and solvent tetrahydrofuran with the reaction time of 1.5 hours. The yield is about 87%.

Uses of 3,4-(Methylenedioxy)phenylacetic acid: it can be used to produce tetrahydrofuran at the temperature of 25 - 30 °C. It will need reagent borane dimethylsulfide complex and solvent tetrahydrofuran with the reaction time of 1.25 hours. The yield is about 100%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1OC2=C(O1)C=C(C=C2)CC(=O)O
(2)InChI: InChI=1S/C9H8O4/c10-9(11)4-6-1-2-7-8(3-6)13-5-12-7/h1-3H,4-5H2,(H,10,11)
(3)InChIKey: ODVLMCWNGKLROU-UHFFFAOYSA-N

Product Name

3,4-(Methylenedioxy)phenylacetic acid

Synthetic route

3,4-(Methylenedioxy)phenylacetic acid Specification

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