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CAS No.: | 875781-43-4 |
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Name: | 5-Bromo-4,7-diazaindole |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C6H4BrN3 |
Molecular Weight: | 198.022 |
Synonyms: | 4H-Pyrrolo[2,3-b]pyrazine,2-bromo- (9CI);2-Bromo-5H-pyrrolo[2,3-b]pyrazine; |
EINECS: | 1308068-626-2 |
Density: | 1.895 g/cm3 |
Boiling Point: | 265 °C |
Flash Point: | 114 °C |
PSA: | 41.57000 |
LogP: | 1.72040 |
5-bromo-3-((trimethylsilyl)ethynyl)pyrazine-2-amine
2-bromo-5H-pyrrolo[2,3-b]pyrazine
Conditions | Yield |
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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 |
5-bromo-3-(2-triethylsilylethynyl)pyrazin-2-amine
2-bromo-5H-pyrrolo[2,3-b]pyrazine
Conditions | Yield |
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With potassium tert-butylate In 1-methyl-pyrrolidin-2-one at 80℃; for 1.5h; | 70.3% |
N-(5-bromo-3-((trimethylsilyl)ethynyl)pyrazin-2-yl)acetamide
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% |
2-bromo-5H-pyrrolo[2,3-b]pyrazine
Conditions | Yield |
---|---|
In water for 0.5h; | 91 g |
2-bromo-5H-pyrrolo[2,3-b]pyrazine
Conditions | Yield |
---|---|
In water for 0.5h; | 90 g |
2-bromo-5H-pyrrolo[2,3-b]pyrazine
Conditions | Yield |
---|---|
In water for 0.5h; | 90.2 g |
5-bromo-3-ethynyl-pyrazin-2-ylamine
2-bromo-5H-pyrrolo[2,3-b]pyrazine
Conditions | Yield |
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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 |
2-bromo-5H-pyrrolo[2,3-b]pyrazine
Conditions | Yield |
---|---|
In water for 0.5h; Solvent; | 9.3 kg |
2-bromo-5H-pyrrolo[2,3-b]pyrazine
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% |
2-bromo-5H-pyrrolo[2,3-b]pyrazine
p-toluenesulfonyl chloride
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% |
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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