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Cas Database |
| Name |
5-Bromo-1H-pyrazolo[3,4-b]pyridine |
EINECS | -0 |
| CAS No. | 875781-17-2 | Density | 1.895 g/cm3 |
| PSA | 41.57000 | LogP | 1.72040 |
| Solubility | N/A | Melting Point |
198.0 to 202.0 °C |
| Formula | C6H4BrN3 | Boiling Point | 329 °C at 760 mmHg |
| Molecular Weight | 198.022 | Flash Point | 152.8 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 24/25 | Risk Codes | 22 |
| Molecular Structure |
|
Hazard Symbols | Xn |
| Synonyms |
5-Bromo-1-hydropyrazolo[3,4-b]pyridine; |
Article Data | 16 |
5-Bromo-1H-pyrazolo[3,4-b]pyridine Synthetic route
- 875781-15-0
5-bromo-2-fluoro-pyridine-3-carbaldehyde
- 875781-17-2
5-bromo-7-azaindazole
| Conditions | Yield |
|---|---|
| With hydrazine hydrate In water at 65℃; for 15h; Inert atmosphere; | 82% |
| With hydrazine In ethanol Heating / reflux; | 46% |
| With hydrazine hydrate In ethanol at 100℃; for 8h; | 40% |
- 875781-17-2
5-bromo-7-azaindazole
| Conditions | Yield |
|---|---|
| Stage #1: C12H18BrN3O2*ClH With hydrogenchloride In ethanol; water at 20 - 65℃; for 16h; Stage #2: With sodium carbonate In ethanol; water | 50% |
| Conditions | Yield |
|---|---|
| In acetic acid for 6h; Heating; Reflux; Inert atmosphere of N2; | 25% |
- 2065-75-0
2-Bromo-malonaldehyde
- 1225387-53-0
3(5)-aminopyrazole
A
- 705263-10-1
6-bromo-pyrazolo[1,5-α]pyrimidine
B
- 875781-17-2
5-bromo-7-azaindazole
| Conditions | Yield |
|---|---|
| In ethanol at 20℃; Heating / reflux; | A 13.8% B 2.1% |
| Conditions | Yield |
|---|---|
| With acetic acid for 2h; Heating / reflux; | 11% |
- 875781-16-1
C8H10BrN3O2*ClH
- 875781-17-2
5-bromo-7-azaindazole
| Conditions | Yield |
|---|---|
| Stage #1: C8H10BrN3O2*ClH With hydrogenchloride In ethanol; water at 20 - 65℃; for 16h; Stage #2: With sodium hydrogencarbonate In ethanol; water pH=8; |
- 1083326-08-2
5-bromo-3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-2(1H)-pyridinone hydrazone
- 875781-17-2
5-bromo-7-azaindazole
| Conditions | Yield |
|---|---|
| With hydrogenchloride; water In ethanol at 20 - 60℃; |
- 766-11-0
5-bromo-2-fluoropyridine
- 875781-17-2
5-bromo-7-azaindazole
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1.1: N-ethyl-N,N-diisopropylamine; n-butyllithium / tetrahydrofuran / 0.5 h / -78 °C 1.2: 0.17 h / -78 °C 2.1: hydrazine hydrate / ethanol / 8 h / 100 °C View Scheme | |
| Multi-step reaction with 2 steps 1.1: diisopropylamine; n-butyllithium / tetrahydrofuran / 3 h / -65 - -30 °C / Inert atmosphere 1.2: 0.08 h 2.1: hydrazine hydrate / tetrahydrofuran; ethanol; water / 1 h / 45 - 80 °C / Large scale View Scheme | |
| Multi-step reaction with 2 steps 1.1: lithium diisopropyl amide / tetrahydrofuran / 1 h / -90 - -85 °C 1.2: 0.5 h / -80 °C 2.1: hydrazine hydrate / ethanol / 12 h / 75 - 80 °C View Scheme |
- 110-87-2
3,4-dihydro-2H-pyran
- 875781-17-2
5-bromo-7-azaindazole
| Conditions | Yield |
|---|---|
| With pyridinium p-toluenesulfonate In dichloromethane; acetonitrile at 20℃; for 24h; | 100% |
| With toluene-4-sulfonic acid In toluene at 100℃; for 4h; | 98% |
| With toluene-4-sulfonic acid at 25 - 30℃; for 3h; | 60.7% |
- 875781-17-2
5-bromo-7-azaindazole
- 875781-18-3
5-bromo-3-iodo-1H-pyrazolo[3,4-b]pyridine
| Conditions | Yield |
|---|---|
| Stage #1: 5-bromo-7-azaindazole With iodine; potassium hydroxide In N,N-dimethyl-formamide for 3.5h; Stage #2: With iodine; sodium hydroxide In 1,4-dioxane at 40℃; for 23h; | 97% |
| Stage #1: 5-bromo-7-azaindazole With potassium hydroxide In N,N-dimethyl-formamide for 0.166667h; Stage #2: With iodine In N,N-dimethyl-formamide at 20℃; for 3.5h; | 96% |
| Stage #1: 5-bromo-7-azaindazole With iodine; potassium hydroxide In N,N-dimethyl-formamide at 20℃; for 1h; Stage #2: With iodine In N,N-dimethyl-formamide at 45℃; for 1h; | 92% |
5-Bromo-1H-pyrazolo[3,4-b]pyridine Chemical Properties
Molecule structure of 5-Bromo-1H-pyrazolo[3,4-b]pyridine (CAS NO.875781-17-2):
.gif)
Molecular Weight: 198.0201 g/mol
Molecular Formula: C6H4BrN3
Density: 1.894 g/cm3
Boiling Point: 329 °C at 760 mmHg
Flash Point: 152.8 °C
Index of Refraction: 1.745
Molar Refractivity: 42.4 cm3
Molar Volume: 104.5 cm3
Polarizability: 16.8×10-24 cm3
Surface Tension: 76.9 dyne/cm
Enthalpy of Vaporization: 54.88 kJ/mol
Vapour Pressure: 0.00035 mmHg at 25 °C
InChI: InChI=1/C6H4BrN3/c7-5-1-4-2-9-10-6(4)8-3-5/h1-3H,(H,8,9,10) Copy
InChIKey: BASYLPMLKGQZOG-UHFFFAOYAK
Product Categories of 5-Bromo-1H-pyrazolo[3,4-b]pyridine (CAS NO.875781-17-2): CHIRAL CHEMICALS; Building Blocks; Pyrazolo[x,x-y]pyridine
5-Bromo-1H-pyrazolo[3,4-b]pyridine Specification
5-Bromo-1H-pyrazolo[3,4-b]pyridine (CAS NO.875781-17-2) is also named as 1H-pyrazolo[3,4-b]pyridine, 5-bromo- .
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