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Cas Database |
| Name |
5-Bromo-4,7-diazaindole |
EINECS | 1308068-626-2 |
| CAS No. | 875781-43-4 | Density | 1.895 g/cm3 |
| PSA | 41.57000 | LogP | 1.72040 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C6H4BrN3 | Boiling Point | 265 °C |
| Molecular Weight | 198.022 | Flash Point | 114 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
4H-Pyrrolo[2,3-b]pyrazine,2-bromo- (9CI);2-Bromo-5H-pyrrolo[2,3-b]pyrazine; |
Article Data | 11 |
5-Bromo-4,7-diazaindole Synthetic route
- 875781-41-2
5-bromo-3-((trimethylsilyl)ethynyl)pyrazine-2-amine
- 875781-43-4
2-bromo-5H-pyrrolo[2,3-b]pyrazine
| Conditions | Yield |
|---|---|
| With potassium tert-butylate In tetrahydrofuran at 20℃; for 2h; Inert atmosphere; Reflux; | 76% |
| With potassium tert-butylate In 1-methyl-pyrrolidin-2-one for 3h; Heating; | 69% |
| Multi-step reaction with 2 steps 1: pyridine / tetrahydrofuran / 96 h 2: tetrabutyl ammonium fluoride / tetrahydrofuran / 20 h / 75 °C View Scheme |
- 1416740-15-2
5-bromo-3-(2-triethylsilylethynyl)pyrazin-2-amine
- 875781-43-4
2-bromo-5H-pyrrolo[2,3-b]pyrazine
| Conditions | Yield |
|---|---|
| With potassium tert-butylate In 1-methyl-pyrrolidin-2-one at 80℃; for 1.5h; | 70.3% |
- 875781-42-3
N-(5-bromo-3-((trimethylsilyl)ethynyl)pyrazin-2-yl)acetamide
- 875781-43-4
2-bromo-5H-pyrrolo[2,3-b]pyrazine
| Conditions | Yield |
|---|---|
| With tetrabutyl ammonium fluoride In tetrahydrofuran for 15h; | 43% |
| With tetrabutyl ammonium fluoride In tetrahydrofuran at 75℃; for 20h; | 42% |
| With tetrabutyl ammonium fluoride In tetrahydrofuran at 75℃; for 20h; | 42% |
| With tetrabutyl ammonium fluoride In tetrahydrofuran at 75℃; for 20h; | 42% |
| With tetrabutyl ammonium fluoride In tetrahydrofuran for 15h; Reflux; | 16% |
- 875781-43-4
2-bromo-5H-pyrrolo[2,3-b]pyrazine
| Conditions | Yield |
|---|---|
| In water for 0.5h; | 91 g |
- 875781-43-4
2-bromo-5H-pyrrolo[2,3-b]pyrazine
| Conditions | Yield |
|---|---|
| In water for 0.5h; | 90 g |
- 875781-43-4
2-bromo-5H-pyrrolo[2,3-b]pyrazine
| Conditions | Yield |
|---|---|
| In water for 0.5h; | 90.2 g |
- 1209289-08-6
5-bromo-3-ethynyl-pyrazin-2-ylamine
- 875781-43-4
2-bromo-5H-pyrrolo[2,3-b]pyrazine
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: N,N-dimethyl-formamide / 16 h / 20 - 60 °C 2: water / 0.5 h View Scheme | |
| Multi-step reaction with 2 steps 1: N,N-dimethyl-formamide / 16 h / 20 - 60 °C 2: water / 0.5 h View Scheme | |
| Multi-step reaction with 2 steps 1: N,N-dimethyl-formamide / 16 h / 20 - 60 °C 2: water / 0.5 h View Scheme |
- 875781-43-4
2-bromo-5H-pyrrolo[2,3-b]pyrazine
| Conditions | Yield |
|---|---|
| In water for 0.5h; Solvent; | 9.3 kg |
- 875781-43-4
2-bromo-5H-pyrrolo[2,3-b]pyrazine
- 875781-44-5
2-bromo-7-iodo-5H-pyrrolo[2,3-b]pyrazine
| Conditions | Yield |
|---|---|
| With N-iodo-succinimide In N,N-dimethyl-formamide at 20℃; for 1h; | 100% |
| With iodine; potassium hydroxide In N,N-dimethyl-formamide at 20℃; for 2h; Inert atmosphere; | 95% |
| With N-iodo-succinimide In acetone at 20℃; for 4h; | 89% |
- 875781-43-4
2-bromo-5H-pyrrolo[2,3-b]pyrazine
- 98-59-9
p-toluenesulfonyl chloride
- 875781-45-6
2-bromo-7-iodo-5-tosyl-5H-pyrrolo[2,3-b]pyrazine
| Conditions | Yield |
|---|---|
| With sodium hydride In tetrahydrofuran at 0 - 20℃; for 3.33333h; | 99% |
5-Bromo-4,7-diazaindole Chemical Properties
IUPAC Name: 2-Bromo-5H-pyrrolo[2,3-b]pyrazine
Synonyms of 5-Bromo-4,7-diazaindole (CAS NO.875781-43-4): 2-Bromo-5H-pyrrolo[2,3-b]pyrazine ; 5H-Pyrrolo[2,3-b]pyrazine,2-bromo-
CAS NO: 875781-43-4
Molecular Formula: C6H4BrN3
Molecular Weight: 198.02
Molecular Structure: 
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 0
Polar Surface Area: 41.57 Å2
Index of Refraction: 1.745
Molar Refractivity: 42.4 cm3
Molar Volume: 104.5 cm3
Surface Tension: 76.9 dyne/cm
Density: 1.894 g/cm3
SMILES: Brc1cnc2nccc2n1
InChI: InChI=1/C6H4BrN3/c7-5-3-9-6-4(10-5)1-2-8-6/h1-3H,(H,8,9)
InChIKey: KTKMLXBEBKGQGL-UHFFFAOYAB
Std. InChI: InChI=1S/C6H4BrN3/c7-5-3-9-6-4(10-5)1-2-8-6/h1-3H,(H,8,9)
Std. InChIKey: KTKMLXBEBKGQGL-UHFFFAOYSA-N
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