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CAS No.: | 139756-22-2 |
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Name: | 5-(5-Chlorosulfonyl-2-ethoxyphenyl)-1-methyl-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one |
Article Data: | 22 |
Molecular Structure: | |
Formula: | C17H19ClN4O4S |
Molecular Weight: | 410.881 |
Synonyms: | 4-ethoxy-3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)benzenesulfonyl chloride |
Density: | 1.48g/cm3 |
Melting Point: | 180-182°C |
Boiling Point: | 621.4ºC at 760 mmHg |
Flash Point: | 329.6ºC |
Appearance: | Off-White to Pale Beige Solid |
PSA: | 115.32000 |
LogP: | 3.68310 |
5-(2-ethoxy)-phenyl-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidine-7-one
5-(5-Chlorosulphonyl-2-ethoxyphenyl)-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
Conditions | Yield |
---|---|
With chlorosulfonic acid at 0 - 25℃; for 2h; | 97% |
With chlorosulfonic acid In neat (no solvent) at 0 - 20℃; for 12h; | 95% |
With chlorosulfonic acid; thionyl chloride at 0 - 20℃; Sealed tube; | 92% |
ethyl 3-butyrylpyruvate
5-(5-Chlorosulphonyl-2-ethoxyphenyl)-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
Conditions | Yield |
---|---|
Multi-step reaction with 10 steps 1: hydrazine hydrate / acetic acid; 2-methoxy-ethanol / 100 °C 2: caesium carbonate / N,N-dimethyl-formamide / 20 °C 3: hydrogenchloride / water / 100 °C 4: nitric acid; sulfuric acid / 50 °C 5: thionyl chloride / Reflux 6: ammonium hydroxide / tetrahydrofuran / 2 h / Cooling with ice 7: palladium on activated charcoal; hydrogen / methanol / 30 °C / 2585.81 Torr 8: triethylamine / dichloromethane / 20 °C 9: sodium hydroxide; dihydrogen peroxide / ethanol; water / 100 °C 10: chlorosulfonic acid / 2 h / 20 °C / Cooling with ice View Scheme | |
Multi-step reaction with 10 steps 1: acetic acid; hydrazine hydrate / 2-methoxy-ethanol / 100 °C 2: caesium carbonate / N,N-dimethyl-formamide / 20 °C 3: hydrogenchloride; water / 100 °C 4: sulfuric acid; nitric acid / 50 °C 5: thionyl chloride / Reflux 6: ammonium hydroxide / tetrahydrofuran / 2 h / Cooling with ice 7: palladium on activated charcoal; hydrogen / methanol / 30 °C / 2585.81 Torr 8: triethylamine / dichloromethane / 20 °C 9: sodium hydroxide; dihydrogen peroxide / water; ethanol / 100 °C 10: chlorosulfonic acid / 2 h / 20 °C / Cooling with ice View Scheme |
2-Pentanone
5-(5-Chlorosulphonyl-2-ethoxyphenyl)-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
Conditions | Yield |
---|---|
Multi-step reaction with 11 steps 1.1: sodium / ethanol / 1 h / 20 °C 1.2: 20 °C 2.1: hydrazine hydrate / acetic acid; 2-methoxy-ethanol / 100 °C 3.1: caesium carbonate / N,N-dimethyl-formamide / 20 °C 4.1: hydrogenchloride / water / 100 °C 5.1: nitric acid; sulfuric acid / 50 °C 6.1: thionyl chloride / Reflux 7.1: ammonium hydroxide / tetrahydrofuran / 2 h / Cooling with ice 8.1: palladium on activated charcoal; hydrogen / methanol / 30 °C / 2585.81 Torr 9.1: triethylamine / dichloromethane / 20 °C 10.1: sodium hydroxide; dihydrogen peroxide / ethanol; water / 100 °C 11.1: chlorosulfonic acid / 2 h / 20 °C / Cooling with ice View Scheme | |
Multi-step reaction with 11 steps 1.1: sodium / ethanol / 1 h / 20 °C 1.2: 20 °C 2.1: acetic acid; hydrazine hydrate / 2-methoxy-ethanol / 100 °C 3.1: caesium carbonate / N,N-dimethyl-formamide / 20 °C 4.1: hydrogenchloride; water / 100 °C 5.1: sulfuric acid; nitric acid / 50 °C 6.1: thionyl chloride / Reflux 7.1: ammonium hydroxide / tetrahydrofuran / 2 h / Cooling with ice 8.1: palladium on activated charcoal; hydrogen / methanol / 30 °C / 2585.81 Torr 9.1: triethylamine / dichloromethane / 20 °C 10.1: sodium hydroxide; dihydrogen peroxide / water; ethanol / 100 °C 11.1: chlorosulfonic acid / 2 h / 20 °C / Cooling with ice View Scheme |
ethyl 3-propyl-1H-pyrazole-5-carboxylate
5-(5-Chlorosulphonyl-2-ethoxyphenyl)-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
Conditions | Yield |
---|---|
Multi-step reaction with 9 steps 1: caesium carbonate / N,N-dimethyl-formamide / 20 °C 2: hydrogenchloride / water / 100 °C 3: nitric acid; sulfuric acid / 50 °C 4: thionyl chloride / Reflux 5: ammonium hydroxide / tetrahydrofuran / 2 h / Cooling with ice 6: palladium on activated charcoal; hydrogen / methanol / 30 °C / 2585.81 Torr 7: triethylamine / dichloromethane / 20 °C 8: sodium hydroxide; dihydrogen peroxide / ethanol; water / 100 °C 9: chlorosulfonic acid / 2 h / 20 °C / Cooling with ice View Scheme | |
Multi-step reaction with 7 steps 1.1: 9 h / 5 - 25 °C 2.1: sodium hydroxide / 3 h / 75 °C 3.1: sulfuric acid; nitric acid / 8 h / 50 °C 4.1: thionyl chloride / 5 h / Reflux 5.1: iron; ammonium chloride / ethanol; water / 4.5 h / 80 °C 6.1: ethanol / 1.5 h / 70 °C 6.2: 1.5 h / 70 °C 7.1: chlorosulfonic acid / 0 - 5 °C View Scheme | |
Multi-step reaction with 9 steps 1: caesium carbonate / N,N-dimethyl-formamide / 20 °C 2: hydrogenchloride; water / 100 °C 3: sulfuric acid; nitric acid / 50 °C 4: thionyl chloride / Reflux 5: ammonium hydroxide / tetrahydrofuran / 2 h / Cooling with ice 6: palladium on activated charcoal; hydrogen / methanol / 30 °C / 2585.81 Torr 7: triethylamine / dichloromethane / 20 °C 8: sodium hydroxide; dihydrogen peroxide / water; ethanol / 100 °C 9: chlorosulfonic acid / 2 h / 20 °C / Cooling with ice View Scheme |
1-Methyl-3-n-propylpyrazole-5-carboxylic acid ethyl ester
5-(5-Chlorosulphonyl-2-ethoxyphenyl)-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
Conditions | Yield |
---|---|
Multi-step reaction with 8 steps 1: hydrogenchloride / water / 100 °C 2: nitric acid; sulfuric acid / 50 °C 3: thionyl chloride / Reflux 4: ammonium hydroxide / tetrahydrofuran / 2 h / Cooling with ice 5: palladium on activated charcoal; hydrogen / methanol / 30 °C / 2585.81 Torr 6: triethylamine / dichloromethane / 20 °C 7: sodium hydroxide; dihydrogen peroxide / ethanol; water / 100 °C 8: chlorosulfonic acid / 2 h / 20 °C / Cooling with ice View Scheme | |
Multi-step reaction with 6 steps 1.1: sodium hydroxide / 3 h / 75 °C 2.1: sulfuric acid; nitric acid / 8 h / 50 °C 3.1: thionyl chloride / 5 h / Reflux 4.1: iron; ammonium chloride / ethanol; water / 4.5 h / 80 °C 5.1: ethanol / 1.5 h / 70 °C 5.2: 1.5 h / 70 °C 6.1: chlorosulfonic acid / 0 - 5 °C View Scheme | |
Multi-step reaction with 8 steps 1: hydrogenchloride; water / 100 °C 2: sulfuric acid; nitric acid / 50 °C 3: thionyl chloride / Reflux 4: ammonium hydroxide / tetrahydrofuran / 2 h / Cooling with ice 5: palladium on activated charcoal; hydrogen / methanol / 30 °C / 2585.81 Torr 6: triethylamine / dichloromethane / 20 °C 7: sodium hydroxide; dihydrogen peroxide / water; ethanol / 100 °C 8: chlorosulfonic acid / 2 h / 20 °C / Cooling with ice View Scheme |
1-methyl-3-propyl-1 H-pyrazole-5-carboxylic acid
5-(5-Chlorosulphonyl-2-ethoxyphenyl)-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
Conditions | Yield |
---|---|
Multi-step reaction with 7 steps 1: nitric acid; sulfuric acid / 50 °C 2: thionyl chloride / Reflux 3: ammonium hydroxide / tetrahydrofuran / 2 h / Cooling with ice 4: palladium on activated charcoal; hydrogen / methanol / 30 °C / 2585.81 Torr 5: triethylamine / dichloromethane / 20 °C 6: sodium hydroxide; dihydrogen peroxide / ethanol; water / 100 °C 7: chlorosulfonic acid / 2 h / 20 °C / Cooling with ice View Scheme | |
Multi-step reaction with 5 steps 1.1: sulfuric acid; nitric acid / 8 h / 50 °C 2.1: thionyl chloride / 5 h / Reflux 3.1: iron; ammonium chloride / ethanol; water / 4.5 h / 80 °C 4.1: ethanol / 1.5 h / 70 °C 4.2: 1.5 h / 70 °C 5.1: chlorosulfonic acid / 0 - 5 °C View Scheme | |
Multi-step reaction with 7 steps 1: sulfuric acid; nitric acid / 50 °C 2: thionyl chloride / Reflux 3: ammonium hydroxide / tetrahydrofuran / 2 h / Cooling with ice 4: palladium on activated charcoal; hydrogen / methanol / 30 °C / 2585.81 Torr 5: triethylamine / dichloromethane / 20 °C 6: sodium hydroxide; dihydrogen peroxide / water; ethanol / 100 °C 7: chlorosulfonic acid / 2 h / 20 °C / Cooling with ice View Scheme |
1-methyl-2-nitro-3-propyl-1H-pyrazole-5-carboxylic acid
5-(5-Chlorosulphonyl-2-ethoxyphenyl)-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
Conditions | Yield |
---|---|
Multi-step reaction with 6 steps 1: thionyl chloride / Reflux 2: ammonium hydroxide / tetrahydrofuran / 2 h / Cooling with ice 3: palladium on activated charcoal; hydrogen / methanol / 30 °C / 2585.81 Torr 4: triethylamine / dichloromethane / 20 °C 5: sodium hydroxide; dihydrogen peroxide / ethanol; water / 100 °C 6: chlorosulfonic acid / 2 h / 20 °C / Cooling with ice View Scheme | |
Multi-step reaction with 4 steps 1.1: thionyl chloride / 5 h / Reflux 2.1: iron; ammonium chloride / ethanol; water / 4.5 h / 80 °C 3.1: ethanol / 1.5 h / 70 °C 3.2: 1.5 h / 70 °C 4.1: chlorosulfonic acid / 0 - 5 °C View Scheme | |
Multi-step reaction with 6 steps 1: thionyl chloride / Reflux 2: ammonium hydroxide / tetrahydrofuran / 2 h / Cooling with ice 3: palladium on activated charcoal; hydrogen / methanol / 30 °C / 2585.81 Torr 4: triethylamine / dichloromethane / 20 °C 5: sodium hydroxide; dihydrogen peroxide / water; ethanol / 100 °C 6: chlorosulfonic acid / 2 h / 20 °C / Cooling with ice View Scheme |
1-methyl-4-nitro-3-propyl-1H-pyrazole-5 carboxamide
5-(5-Chlorosulphonyl-2-ethoxyphenyl)-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
Conditions | Yield |
---|---|
Multi-step reaction with 4 steps 1: palladium on activated charcoal; hydrogen / methanol / 30 °C / 2585.81 Torr 2: triethylamine / dichloromethane / 20 °C 3: sodium hydroxide; dihydrogen peroxide / ethanol; water / 100 °C 4: chlorosulfonic acid / 2 h / 20 °C / Cooling with ice View Scheme | |
Multi-step reaction with 3 steps 1.1: iron; ammonium chloride / ethanol; water / 4.5 h / 80 °C 2.1: ethanol / 1.5 h / 70 °C 2.2: 1.5 h / 70 °C 3.1: chlorosulfonic acid / 0 - 5 °C View Scheme | |
Multi-step reaction with 4 steps 1: palladium on activated charcoal; hydrogen / methanol / 30 °C / 2585.81 Torr 2: triethylamine / dichloromethane / 20 °C 3: sodium hydroxide; dihydrogen peroxide / water; ethanol / 100 °C 4: chlorosulfonic acid / 2 h / 20 °C / Cooling with ice View Scheme |
1-methyl-4-nitro-3-propyl-1H-pyrazole-5-carbonyl chloride
5-(5-Chlorosulphonyl-2-ethoxyphenyl)-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
Conditions | Yield |
---|---|
Multi-step reaction with 5 steps 1: ammonium hydroxide / tetrahydrofuran / 2 h / Cooling with ice 2: palladium on activated charcoal; hydrogen / methanol / 30 °C / 2585.81 Torr 3: triethylamine / dichloromethane / 20 °C 4: sodium hydroxide; dihydrogen peroxide / ethanol; water / 100 °C 5: chlorosulfonic acid / 2 h / 20 °C / Cooling with ice View Scheme | |
Multi-step reaction with 5 steps 1: ammonium hydroxide / tetrahydrofuran / 2 h / Cooling with ice 2: palladium on activated charcoal; hydrogen / methanol / 30 °C / 2585.81 Torr 3: triethylamine / dichloromethane / 20 °C 4: sodium hydroxide; dihydrogen peroxide / water; ethanol / 100 °C 5: chlorosulfonic acid / 2 h / 20 °C / Cooling with ice View Scheme |
4-amino-1-methyl-3-propyl-1H-pyrazole-5-carboxamide
5-(5-Chlorosulphonyl-2-ethoxyphenyl)-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: triethylamine / dichloromethane / 20 °C 2: sodium hydroxide; dihydrogen peroxide / ethanol; water / 100 °C 3: chlorosulfonic acid / 2 h / 20 °C / Cooling with ice View Scheme | |
Multi-step reaction with 2 steps 1.1: ethanol / 1.5 h / 70 °C 1.2: 1.5 h / 70 °C 2.1: chlorosulfonic acid / 0 - 5 °C View Scheme | |
Multi-step reaction with 3 steps 1: triethylamine / dichloromethane / 20 °C 2: sodium hydroxide; dihydrogen peroxide / water; ethanol / 100 °C 3: chlorosulfonic acid / 2 h / 20 °C / Cooling with ice View Scheme |