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CAS No.: | 862574-88-7 |
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Name: | 1-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-cyclopropanecarboxylicacid |
Article Data: | 38 |
Molecular Structure: | |
Formula: | C11H8F2O4 |
Molecular Weight: | 242.179 |
Synonyms: | 1-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-cyclopropanecarboxylicacid; 1-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid; 1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxylic acid |
Density: | 1.59±0.1 g/cm3(Predicted) |
Boiling Point: | 331.1±42.0 °C(Predicted) |
PSA: | 55.76000 |
LogP: | 2.12430 |
1-(2,2-difluorobenzo[1,3]dioxol-5-yl)cyclopropane-1-carboxylic acid
Conditions | Yield |
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With N-benzyl-N,N,N-triethylammonium chloride; sodium hydroxide In tetrachloromethane; dichloromethane at 20℃; for 16h; Inert atmosphere; | 100% |
1-(2,2-difluorobenzo[1,3]dioxol-5-yl)cyclopropane-1-carboxylic acid
Conditions | Yield |
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With sodium hydroxide at 85℃; for 2h; | 95.2% |
With methanol; sodium hydroxide at 20℃; for 20h; | 87.3% |
1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarbonitrile
1-(2,2-difluorobenzo[1,3]dioxol-5-yl)cyclopropane-1-carboxylic acid
Conditions | Yield |
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Stage #1: 1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarbonitrile With sodium hydroxide In ethanol at 100℃; for 3h; Inert atmosphere; Stage #2: With hydrogenchloride In ethanol; water pH=2; Cooling; Inert atmosphere; | 88% |
Stage #1: 1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarbonitrile With sodium hydroxide In ethanol at 77 - 80℃; for 16h; Stage #2: With hydrogenchloride In ethanol; dichloromethane at 10 - 25℃; | 79% |
Stage #1: 1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarbonitrile With sodium hydroxide In ethanol at 80℃; Stage #2: With hydrogenchloride In tert-butyl methyl ether | 69% |
1-(2,2-difluorobenzo[1,3]dioxol-5-yl)cyclopropane-1-carboxylic acid
Conditions | Yield |
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With sodium hydroxide In methanol at 10 - 30℃; for 2h; | 81.1% |
2-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)acetonitrile
1-(2,2-difluorobenzo[1,3]dioxol-5-yl)cyclopropane-1-carboxylic acid
Conditions | Yield |
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79% | |
79% | |
79% |
2-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)acetonitrile
1-Bromo-2-chloroethane
1-(2,2-difluorobenzo[1,3]dioxol-5-yl)cyclopropane-1-carboxylic acid
Conditions | Yield |
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With N-benzyl-N,N,N-triethylammonium chloride; sodium hydroxide In water at 75℃; for 24h; | 52% |
1-(2,2-difluorobenzo[1,3]dioxol-5-yl)cyclopropane-1-carboxylic acid
Conditions | Yield |
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With water; citric acid In tert-butyl methyl ether | |
With citric acid In tert-butyl methyl ether |
tert-butyl methyl ether
N-cyclohexyl-cyclohexanamine
1-(2,2-difluorobenzo[1,3]dioxol-5-yl)cyclopropane-1-carboxylic acid
Conditions | Yield |
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With hydrogenchloride; NaOH; citric acid In ethanol; n-heptane | |
With hydrogenchloride; NaOH; citric acid In ethanol; n-heptane; water |
5-bromo-2,2-difluoro-2H-1,3-benzodioxole
1-(2,2-difluorobenzo[1,3]dioxol-5-yl)cyclopropane-1-carboxylic acid
Conditions | Yield |
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Multi-step reaction with 4 steps 1.1: sodium phosphate; tri-tert-butyl phosphine / bis(dibenzylideneacetone)-palladium(0) / toluene; hexanes / 0.83 h / 23 °C / Inert atmosphere 1.2: 70 °C 2.1: hydrogenchloride / water; dimethyl sulfoxide / 40 - 75 °C 3.1: tetraoctyl ammonium bromide; potassium hydroxide / water / 1 h / 70 °C 4.1: sodium hydroxide; water / ethanol / 80 °C View Scheme | |
Multi-step reaction with 4 steps 1.1: sodium phosphate; tris-(dibenzylideneacetone)dipalladium(0); tri-tert-butyl phosphine / toluene; hexane / 0.83 h / 23 °C / Inert atmosphere 1.2: 0.67 h / 70 °C 2.1: hydrogenchloride / dimethyl sulfoxide; water / 1 h / 40 - 75 °C 3.1: potassium hydroxide; tetraoctyl ammonium bromide / water / 1 h / 70 °C 4.1: sodium hydroxide; water / ethanol / 80 °C View Scheme | |
Multi-step reaction with 4 steps 1.1: sodium phosphate; bis(dibenzylideneacetone)-palladium(0); tributylphosphine / toluene; hexane / 0.85 h / 23 °C / Inert atmosphere 1.2: 70 °C 2.1: hydrogenchloride / dimethyl sulfoxide; water / 40 - 75 °C 3.1: potassium hydroxide; tetraoctyl ammonium bromide / water / 1 h / 70 °C 4.1: sodium hydroxide / ethanol / 80 °C View Scheme |
2,2-difluoro-1,3-benzodioxole-5-carboxylic acid
1-(2,2-difluorobenzo[1,3]dioxol-5-yl)cyclopropane-1-carboxylic acid
Conditions | Yield |
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Multi-step reaction with 5 steps 1.1: sodium bis(2-methoxyethoxy)aluminium dihydride / toluene / 15 - 40 °C 1.2: 0.5 h / 40 - 50 °C 2.1: thionyl chloride / dmap / tert-butyl methyl ether / 1.5 h / 15 - 30 °C 3.1: dimethyl sulfoxide / 1 h / 30 - 40 °C 4.1: tetraoctyl ammonium bromide; potassium hydroxide / water / 1 h / 70 °C 5.1: sodium hydroxide; water / ethanol / 80 °C View Scheme | |
Multi-step reaction with 4 steps 1: aq. NaOH / toluene 2: thionyl chloride; aq. NaOH / dmap / water 3: NaCN / water; dimethyl sulfoxide View Scheme | |
Multi-step reaction with 4 steps 1: aq. NaOH / toluene 2: thionyl chloride; aq. NaOH / dmap / water 3: NaCN / water; dimethyl sulfoxide View Scheme |