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Cas Database |
| Name |
Methyl 3-amino-6-bromopyrazine-2-carboxylate |
EINECS | 687-153-2 |
| CAS No. | 6966-01-4 | Density | 1.755 g/cm3 |
| PSA | 78.10000 | LogP | 1.18910 |
| Solubility | N/A | Melting Point |
164-166?C |
| Formula | C6H6BrN3O2 | Boiling Point | 322.422 °C at 760 mmHg |
| Molecular Weight | 232.037 | Flash Point | 148.796 °C |
| Transport Information | N/A | Appearance | Orange solid |
| Safety | 37 | Risk Codes | 43 |
| Molecular Structure |
|
Hazard Symbols | Xi |
| Synonyms |
Pyrazinecarboxylicacid, 3-amino-6-bromo-, methyl ester (9CI);3-Amino-6-bromo-2-pyrazinecarboxylic acid methyl ester; |
Article Data | 23 |
Methyl 3-amino-6-bromopyrazine-2-carboxylate Synthetic route
- 16298-03-6
Methyl 3-amino-2-pyrazinecarboxylate
- 6966-01-4
methyl 3-amino-6-bromopyrazine-2-carboxylate
| Conditions | Yield |
|---|---|
| With N-Bromosuccinimide In acetonitrile for 2h; Heating / reflux; | 100% |
| With bromine; acetic acid In water | 94% |
| Stage #1: Methyl 3-amino-2-pyrazinecarboxylate With bromine; acetic acid at 45℃; for 0.833333h; Stage #2: With water at 20℃; for 0.5h; | 94% |
- 67-56-1
methanol
- 486424-37-7
3-amino-6-bromo-pyrazine-2-carboxylic acid
- 6966-01-4
methyl 3-amino-6-bromopyrazine-2-carboxylate
| Conditions | Yield |
|---|---|
| With sulfuric acid at 0 - 40℃; for 48h; | 80.1% |
| With sulfuric acid In water |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: sulfuric acid 2: bromine; acetic acid View Scheme | |
| Multi-step reaction with 2 steps 1: sulfuric acid / 20 °C / Cooling with ice 2: N-Bromosuccinimide / acetonitrile / 20 °C View Scheme | |
| Multi-step reaction with 2 steps 1: sulfuric acid / 48 h / Cooling with ice 2: N-Bromosuccinimide / acetonitrile / 24 h / 20 °C / Inert atmosphere View Scheme |
- 6966-01-4
methyl 3-amino-6-bromopyrazine-2-carboxylate
- 1225062-23-6
3-amino-6-bromopyrazine-2-carbohydrazide
| Conditions | Yield |
|---|---|
| With hydrazine hydrate In ethanol at 50℃; for 40h; Inert atmosphere; | 100% |
| With hydrazine hydrate In ethanol at 50℃; for 40h; Inert atmosphere; | 100% |
| With hydrazine hydrate In ethanol at 50℃; for 40h; Inert atmosphere; | 100% |
- 6966-01-4
methyl 3-amino-6-bromopyrazine-2-carboxylate
| Conditions | Yield |
|---|---|
| With sodium hydroxide In water Reflux; | 100% |
- 6966-01-4
methyl 3-amino-6-bromopyrazine-2-carboxylate
- 486424-37-7
3-amino-6-bromo-pyrazine-2-carboxylic acid
| Conditions | Yield |
|---|---|
| Stage #1: methyl 3-amino-6-bromopyrazine-2-carboxylate With water; lithium hydroxide In methanol at 90℃; for 5h; Stage #2: With hydrogenchloride In methanol; water | 99% |
| With sodium hydroxide In ethanol | 90% |
| With lithium hydroxide In methanol; water for 2h; Reflux; | 83% |
| Conditions | Yield |
|---|---|
| With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; caesium carbonate In 1,4-dioxane; water at 100℃; Inert atmosphere; | 99% |
- 6966-01-4
methyl 3-amino-6-bromopyrazine-2-carboxylate
- 62-53-3
aniline
- 36204-92-9
3-amino-6-bromo-N-phenyl-pyrazine-2-carboxamide
| Conditions | Yield |
|---|---|
| at 115℃; for 4h; Microwave irradiation; | 98% |
- 6966-01-4
methyl 3-amino-6-bromopyrazine-2-carboxylate
| Conditions | Yield |
|---|---|
| With potassium phosphate; bis(tri-t-butylphosphine)palladium(0) In water; acetonitrile at 20 - 60℃; for 2h; Suzuki Coupling; | 97% |
- 6966-01-4
methyl 3-amino-6-bromopyrazine-2-carboxylate
- 5720-07-0
4-methoxyphenylboronic acid
- 113892-84-5
3-Amino-6-(4-methoxy-phenyl)-pyrazine-2-carboxylic acid methyl ester
| Conditions | Yield |
|---|---|
| With 1,1'-bis-(diphenylphosphino)ferrocene; palladium diacetate; triethylamine In N,N-dimethyl-formamide at 90℃; for 12h; | 94% |
Methyl 3-amino-6-bromopyrazine-2-carboxylate Chemical Properties
Molecular Structure of Methyl 3-amino-6-bromopyrazine-2-carboxylate (CAS NO. 6966-01-4 ) :
.png)
IUPAC Name: Methyl 3-amino-6-bromopyrazine-2-carboxylate
Molecular Formula: C6H6BrN3O2
Molecular Weight: 232.03
CAS NO: 6966-01-4
ACD/LogP: 2.54
of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): 2.54
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 5.5): 50.11
ACD/BCF (pH 7.4): 50.11
ACD/KOC (pH 5.5): 573.34
ACD/KOC (pH 7.4): 573.34
H bond acceptors: 5
H bond donors: 2
Freely Rotating Bonds: 2
Polar Surface Area: 55.32 Å2
Index of Refraction: 1.614
Surface Tension: 65.8 dyne/cm
Density: 1.754 g/cm3
Flash Point: 148.8 °C
Enthalpy of Vaporization: 56.43 kJ/mol
Boiling Point: 322.4 °C at 760 mmHg
Vapour Pressure: 0.00028 mmHg at 25°C
Methyl 3-amino-6-bromopyrazine-2-carboxylate Specification
Methyl 3-amino-6-bromopyrazine-2-carboxylate , with CAS number of 6966-01-4, can be called Pyrazinecarboxylicacid, 3-amino-6-bromo-, methyl ester (9CI) ; 3-Amino-6-bromo-2-pyrazinecarboxylic acid methyl ester ; Methyl3-amino-6-bromopyrazine-2-carboxylate . Methyl 3-amino-6-bromopyrazine-2-carboxylate (CAS NO. 6966-01-4 ) is used as intermediate in organic synthesis .
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