Piperonylic acid
3,4-(methylenedioxy)benzoyl chloride
Conditions | Yield |
---|---|
With thionyl chloride; N,N-dimethyl-formamide In chloroform Reflux; | 98% |
With thionyl chloride In ethanol Heating; | 91% |
With thionyl chloride Heating; | 80% |
4-nitro-benzoyl chloride
5-iodo-1,3-benzodioxole
A
p-nitrobenzene iodide
B
3,4-(methylenedioxy)benzoyl chloride
Conditions | Yield |
---|---|
With (Xantphos)Pd(4-C6H4NO2)(I) In benzene at 90℃; for 20h; Sealed tube; Inert atmosphere; | A n/a B 92% |
Piperonylic acid
A
3,4-(methylenedioxy)benzoyl chloride
B
benzo[d][1,3]dioxole-5-carboxylic anhydride
Conditions | Yield |
---|---|
With thionyl chloride; benzene |
Piperonylic acid
phosphorus pentachloride
3,4-(methylenedioxy)benzoyl chloride
piperonal
A
3,4-(methylenedioxy)benzoyl chloride
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 1) NaH / 1) DMF, 2) 25 deg C, 12 h 2: SOCl2 / 1 h / Heating View Scheme | |
Multi-step reaction with 2 steps 1: 1) C3H7SH, NaH / 1) DMF, 2) 25 deg C, 12 h 2: SOCl2 / 1 h / Heating View Scheme |
methyl 3,4-methylenedioxybenzoate
A
3,4-(methylenedioxy)benzoyl chloride
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 1) NaH / 1) DMF, 2) 25 deg C, 12 h 2: SOCl2 / 1 h / Heating View Scheme | |
Multi-step reaction with 2 steps 1: 1) C3H7SH, NaH / 1) DMF, 2) 25 deg C, 12 h 2: SOCl2 / 1 h / Heating View Scheme |
4-[2-(1-pyrrolidinyl)ethoxy]benzyl amine
B
3,4-(methylenedioxy)benzoyl chloride
Conditions | Yield |
---|---|
In chloroform | |
In chloroform |
5-iodo-1,3-benzodioxole
terephthaloyl chloride
A
3,4-(methylenedioxy)benzoyl chloride
B
4-iodobenzoic acid chloride
Conditions | Yield |
---|---|
With (Xantphos)Pd(4-C6H4NO2)(I) In benzene at 110℃; for 20h; Sealed tube; Inert atmosphere; | A 96 %Spectr. B n/a |
1,2-(methylenedioxy)-4-bromobenzene
butyryl chloride
3,4-(methylenedioxy)benzoyl chloride
Conditions | Yield |
---|---|
With tris-(dibenzylideneacetone)dipalladium(0); N-ethyl-N,N-diisopropylamine; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene In toluene at 100℃; for 16h; Sealed tube; Inert atmosphere; |
3,4-(methylenedioxy)benzoyl chloride
5-acetamido-2-hydroxyacetophenone
2-O-([1,3]dioxol-5-benzoate)-5-acetamido-acetophenone
Conditions | Yield |
---|---|
With dmap; triethylamine In tetrahydrofuran at 20℃; for 24h; | 100% |
3,4-(methylenedioxy)benzoyl chloride
2-(3,4-dimethoxyphenyl)-ethylamine
N-(3,4-dimethoxyphenethyl)-3,4-methylenedioxybenzamide
Conditions | Yield |
---|---|
With sodium hydroxide In dichloromethane; water at 0℃; for 1.5h; Sealed tube; | 99% |
Stage #1: 2-(3,4-dimethoxyphenyl)-ethylamine With triethylamine In dichloromethane at 0℃; for 0.25h; Inert atmosphere; Stage #2: 3,4-(methylenedioxy)benzoyl chloride In dichloromethane Inert atmosphere; |
2-methoxy-6-methyl-4(3H)-pyrimidinone
3,4-(methylenedioxy)benzoyl chloride
6-methyl-2-methoxy-4-O-piperonylpyrimidine
Conditions | Yield |
---|---|
In pyridine; acetonitrile for 3h; Ambient temperature; | 98% |
With pyridine In acetonitrile at 25℃; for 24h; | 98% |
3,4-(methylenedioxy)benzoyl chloride
N,O-dimethylhydroxylamine*hydrochloride
benzo[1,3]dioxole-5-carboxylic acid methoxymethylamide
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 0 - 20℃; for 3h; | 98% |
With sodium hydroxide In water; acetonitrile at 20℃; for 0.5h; | 88% |
With triethylamine In dichloromethane Substitution; | |
Stage #1: N,O-dimethylhydroxylamine*hydrochloride With triethylamine In dichloromethane at 0℃; for 0.0833333h; Inert atmosphere; Stage #2: 3,4-(methylenedioxy)benzoyl chloride In dichloromethane at 0 - 20℃; for 2h; Inert atmosphere; | |
With dmap In toluene at 75℃; for 16h; | 68.2 mg |
5-(4-methoxyphenyl)-4-methyl-6-piperidin-4-ylpyrimidin-2-amine
3,4-(methylenedioxy)benzoyl chloride
4-[1-(1,3-benzodioxol-5-ylcarbonyl)piperidin-4-yl]-5-(4-methoxyphenyl)-6-methylpyrimidin-2-amine
Conditions | Yield |
---|---|
With triethylamine In chloroform for 1h; Cooling with ice; | 97% |
3,4-(methylenedioxy)benzoyl chloride
4-(4-methoxybenzyl)-6-piperidin-4-ylpyrimidin-2-amine
4-[1-(1,3-benzodioxol-5-ylcarbonyl)piperidin-4-yl]-6-(4-methoxybenzyl)pyrimidin-2-amine
Conditions | Yield |
---|---|
With triethylamine In chloroform Cooling with ice; | 96% |
3,4-(methylenedioxy)benzoyl chloride
(±)-1-(benzo[d][1,3]dioxol-5-yl)-2-methylpropan-1-one
Conditions | Yield |
---|---|
With tetrakis(triphenylphosphine) palladium(0); copper(l) chloride In acetonitrile at 60℃; for 12h; Sealed tube; | 96% |
3,4-(methylenedioxy)benzoyl chloride
methylamine
N-methylbenzo[d][1,3]dioxole-5-carboxamide
Conditions | Yield |
---|---|
In dichloromethane | 95% |
In water at 0℃; | |
With triethylamine In tetrahydrofuran Cooling with ice; |
7-bromo-6-methylamino-2,2-dimethyl-2-silatetralin
3,4-(methylenedioxy)benzoyl chloride
N-(7-bromo-2,2-dimethyl-2-silatetralin-6-yl)-N-methylpiperonamide
Conditions | Yield |
---|---|
With potassium carbonate In dichloromethane at 20℃; | 95% |
3,4-(methylenedioxy)benzoyl chloride
berberrubine chloride
9-O-(piperonyl)berberrubine chloride
Conditions | Yield |
---|---|
In acetonitrile at 20℃; for 0.5h; | 95% |
3,4-(methylenedioxy)benzoyl chloride
4-heptylamine
Conditions | Yield |
---|---|
With triethylamine In dichloromethane; N,N-dimethyl-formamide at 0 - 10℃; for 1h; Inert atmosphere; | 94.4% |
With triethylamine In dichloromethane at 0℃; for 1h; | 48.3% |
In dichloromethane; ethyl acetate; triethylamine | 48.3% |
pyrrolidine
3,4-(methylenedioxy)benzoyl chloride
benzo[d][1,3]dioxol-5-yl(pyrrolidin-1-yl)methanone
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 0 - 20℃; for 16h; Inert atmosphere; | 94% |
With triethylamine In dichloromethane at 20℃; for 2h; Inert atmosphere; | 81% |
In tetrahydrofuran; water for 0.5h; Ambient temperature; Yield given; |
3,4-(methylenedioxy)benzoyl chloride
Conditions | Yield |
---|---|
With potassium carbonate In 1,4-dioxane for 2h; Inert atmosphere; | 94% |
3,4-(methylenedioxy)benzoyl chloride
3-(methanesulfonamido)-4-methoxyaniline
Conditions | Yield |
---|---|
With pyridine at 20℃; for 24h; | 93% |
3,4-(methylenedioxy)benzoyl chloride
4-amino-2-methoxy-N-methanesulphonyl aniline
N-(3-methoxy-4-methanesulfonylaminophenyl)-3,4-methylenedioxybenzamide
Conditions | Yield |
---|---|
With pyridine at 20℃; for 24h; | 93% |
3,4-(methylenedioxy)benzoyl chloride
N-{[(1R,2R)-2-{[4-(1,2-benzisothiazol-3-yl)piperazin-1-yl]-methyl}cyclohexyl]methyl}-1,3-benzodioxole-5-carboxamide
Conditions | Yield |
---|---|
With triethylamine In chloroform at 20℃; for 7h; | 93% |
3,4-(methylenedioxy)benzoyl chloride
2-fluoro-4-(methoxy)aniline
Conditions | Yield |
---|---|
With Lawessons reagent In diphenylether Microwave irradiation; Sealed tube; Heating; regioselective reaction; | 92% |
3,4-(methylenedioxy)benzoyl chloride
1-[(1S,2S)-2-{[4-(1,2-benzisothiazol-3-yl)piperazin-1-yl]methyl}cyclopropyl]methanamine
N-{[(1S,2S)-2-{[4-(1,2-benzisothiazol-3-yl)piperazin-1-yl]-methyl}cyclopropyl]methyl}-1,3-benzodioxole-5-carboxamide
Conditions | Yield |
---|---|
With triethylamine In chloroform at 20℃; for 7h; | 91% |
3,4-(methylenedioxy)benzoyl chloride
2-(3-aminophenyl)-5,6,7-trimethoxy-4H-chromen-4-one
Conditions | Yield |
---|---|
With potassium carbonate In acetone | 91% |
With iodine; triethylamine; phosphorous acid trimethyl ester In acetone at 20℃; for 0.0833333h; | 91% |
With potassium carbonate In acetone at 20℃; |
3,4-(methylenedioxy)benzoyl chloride
1-amino-5,6,7,8-tetrahydronaphthalene
Conditions | Yield |
---|---|
With pyridine In dichloromethane | 90% |
isonipecotic acid
3,4-(methylenedioxy)benzoyl chloride
1-(1,3-benzodioxol-5-ylcarbonyl)piperidine-4-carboxylic acid
Conditions | Yield |
---|---|
With potassium carbonate In tetrahydrofuran; water at 10℃; for 2.5h; Cooling with ice; | 90% |
With potassium carbonate In tetrahydrofuran; water |
3,4-(methylenedioxy)benzoyl chloride
1-(5,7-dimethoxy-2,2-dimethyl-2H-chromen-6-yl)ethanone
Conditions | Yield |
---|---|
With magnesium dibromide etherate; N-ethyl-N,N-diisopropylamine In dichloromethane for 0.333333h; | 90% |
3,4-(methylenedioxy)benzoyl chloride
Conditions | Yield |
---|---|
With potassium carbonate In acetone at 20℃; | 90% |
3,4-(methylenedioxy)benzoyl chloride
O-pivaloylhydroxylamine trifluoromethanesulfonate salt
Conditions | Yield |
---|---|
With sodium carbonate In water; ethyl acetate at 0 - 20℃; for 5h; | 90% |
morpholine
3,4-(methylenedioxy)benzoyl chloride
benzo[d][1,3]dioxol-5-yl(morpholino)methanone
Conditions | Yield |
---|---|
In pyridine at 0℃; for 2h; | 89.7% |
In dichloromethane at 0℃; for 2h; | |
In toluene Ambient temperature; Yield given; | |
With dmap In toluene at 75℃; for 16h; | 86.1 mg |
3,4-(methylenedioxy)benzoyl chloride
2-hydroxy-2-phenylacetophenone
Conditions | Yield |
---|---|
With Piperonylic acid; sulfuric acid for 0.5h; Heating; | 89% |
3,4-(methylenedioxy)benzoyl chloride
phenylzinc chloride
(3,4-methylenedioxyphenyl) phenyl methanone
Conditions | Yield |
---|---|
((t-Bu)2POH)2PdCl2 In 1-methyl-pyrrolidin-2-one at 25℃; for 0.5h; | 89% |
3,4-(methylenedioxy)benzoyl chloride
3-amino-naphthalene-1,8-dicarboxylic acid-anhydride
C20H11NO6
Conditions | Yield |
---|---|
With pyridine In diethyl ether at 60 - 80℃; | 89% |
The CAS register number of Piperonyloyl chloride is 25054-53-9. It also can be called as 3,4-Methylenedioxybenzoyl chloride and the IUPAC name about this chemical is 1,3-benzodioxole-5-carbonyl chloride. The molecular formula about this chemical is C8H5ClO3 and the molecular weight is 184.58. It belongs to the following product categories which include Acidhalide; Acid Halides; Carbonyl Compounds; Organic Building Blocks and so on.
Physical properties about Piperonyloyl chloride are: (1)ACD/LogP: 2.32; (2)ACD/LogD (pH 5.5): 2.32; (3)ACD/LogD (pH 7.4): 2.32; (4)ACD/BCF (pH 5.5): 34.21; (5)ACD/BCF (pH 7.4): 34.21; (6)ACD/KOC (pH 5.5): 436.24; (7)ACD/KOC (pH 7.4): 436.24; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 35.53Å2; (11)Index of Refraction: 1.586; (12)Molar Refractivity: 42.65 cm3; (13)Molar Volume: 127 cm3; (14)Polarizability: 16.91x10-24cm3; (15)Surface Tension: 55.3 dyne/cm; (16)Enthalpy of Vaporization: 50.62 kJ/mol; (17)Boiling Point: 268.1 °C at 760 mmHg; (18)Vapour Pressure: 0.00784 mmHg at 25°C.
Preparation: this chemical can be prepared by benzo[1,3]dioxole-5-carboxylic acid. This reaction will need reagent SOCl2.
Uses of Piperonyloyl chloride: it can be used to produce 4-(benzo[1,3]dioxole-5-carbonyl)-morpholine with morpholine at temperature of 0 ℃. This reaction will need solvent CH2Cl2 with reaction time of 2 hours.
When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. If you want to use this chemical, please take off immediately all contaminated clothing and do not breathe dust. When you are using it, wear suitable protective clothing, gloves and eye/face protection. After contact with skin, wash immediately with plenty of soap-suds. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, please seek medical advice immediately (show the label whenever possible.)
You can still convert the following datas into molecular structure:
(1)SMILES: ClC(=O)c1ccc2OCOc2c1
(2)InChI: InChI=1/C8H5ClO3/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H2
(3)InChIKey: ZRSGZIMDIHBXIN-UHFFFAOYAV ; (4)Std. InChI: InChI=1S/C8H5ClO3/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H2
(5)Std. InChIKey: ZRSGZIMDIHBXIN-UHFFFAOYSA-N
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