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CAS No.: | 33332-29-5 |
---|---|
Name: | 2-Amino-5-chloropyrazine |
Article Data: | 27 |
Molecular Structure: | |
Formula: | C4H4ClN3 |
Molecular Weight: | 129.549 |
Synonyms: | Pyrazinamine,5-chloro- (9CI);Pyrazine, 2-amino-5-chloro- (7CI,8CI);(5-Chloropyrazin-2-yl)amine;5-chloropyrazin-2-amine; |
EINECS: | 689-326-8 |
Density: | 1.438 g/cm3 |
Melting Point: | 122-128℃ |
Boiling Point: | 278.45 °C at 760 mmHg |
Flash Point: | 122.203 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22-36 |
Safety: | 26 |
PSA: | 51.80000 |
LogP: | 1.29340 |
2-Aminopyrazine
2-amino-5-chloropyrazine
Conditions | Yield |
---|---|
With N-chloro-N-methoxybenzenesulfonamide In acetonitrile at 50℃; for 5h; | 80% |
With N-chloro-N-methoxy-4-methylbenzenesulfonamide In acetonitrile at 40℃; for 4h; Reagent/catalyst; Temperature; | 80% |
With Selectfluor; lithium chloride In N,N-dimethyl-formamide at 15℃; for 12h; Inert atmosphere; Schlenk technique; Sealed tube; regioselective reaction; | 60% |
2-Aminopyrazine
A
3-chloropyrazin-2-amine
B
2-amino-5-chloropyrazine
C
3,5-dichloro-pyrazin-2-ylamine
Conditions | Yield |
---|---|
With N-chloro-succinimide In acetonitrile at 20℃; for 72h; | A n/a B 57% C 13% |
pyridinium N-(3'-bromo-5'-chloropyrazin-2'-yl)aminide
A
2-amino-5-chloropyrazine
Conditions | Yield |
---|---|
With 2,2'-azobis(isobutyronitrile); tris-(trimethylsilyl)silane; potassium carbonate In acetonitrile; benzene at 80℃; for 24h; | A 10% B 52% |
With 2,2'-azobis(isobutyronitrile); tris-(trimethylsilyl)silane; potassium carbonate In acetonitrile; benzene at 80℃; for 24h; | A 10% B 52% |
Conditions | Yield |
---|---|
With N-chloro-succinimide In chloroform for 2h; Product distribution / selectivity; Heating / reflux; | A 4% B 14% |
3-aminopyrazine 1-oxide
A
3-chloropyrazin-2-amine
B
2-amino-5-chloropyrazine
C
2-amino-6-chloropyrazine
Conditions | Yield |
---|---|
With trichlorophosphate for 2h; Heating; Yield given. Yields of byproduct given. Title compound not separated from byproducts; | |
With trichlorophosphate for 2h; Product distribution; Mechanism; Heating; other substituted pyrazine-1-oxides and products, deoxygenation/chlorination competition; other time; |
3-amino-6-chloropyrazine-2-carboxylic acid methyl ester
2-amino-5-chloropyrazine
Conditions | Yield |
---|---|
With sodium hydroxide In diphenylether; water |
3-aminopyrazinoic acid
Methyl 3-amino-2-pyrazinecarboxylate
1-methyl-3-(4-methylphenyl)-triazene
2-amino-5-chloropyrazine
Conditions | Yield |
---|---|
In tetrahydrofuran; diethyl ether; water; acetic acid |
2-amino-5-chloropyrazine
Conditions | Yield |
---|---|
With tetrafluoroboric acid; sodium nitrite In water at 0 - 20℃; for 4h; Inert atmosphere; | 93% |
chloroformic acid ethyl ester
2-amino-5-chloropyrazine
ethyl (5-chloropyrazin-2-yl)carbamate
Conditions | Yield |
---|---|
With pyridine at 20℃; for 0.5h; | 91% |
Conditions | Yield |
---|---|
With potassium carbonate In ethanol; water at 80℃; for 8h; Suzuki-Miyaura coupling reaction; Inert atmosphere; | 90% |
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Molecular Structure of 2-Amino-5-chloropyrazine (CAS NO.33332-29-5):
IUPAC Name: 5-chloropyrazin-2-amine
Empirical Formula: C4H4ClN3
Molecular Weight: 129.5477
CAS Registry Number: 33332-29-5
ACD/LogP: 0.79
of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): 1
ACD/LogD (pH 7.4): 1
ACD/BCF (pH 5.5): 6
ACD/BCF (pH 7.4): 6
ACD/KOC (pH 5.5): 120
ACD/KOC (pH 7.4): 120
H bond acceptors: 3
H bond donors: 2
Freely Rotating Bonds: 0
Polar Surface Area: 51.8 ?2
Index of Refraction: 1.618
Surface Tension: 66.442 dyne/cm
Density: 1.438 g/cm3
Flash Point: 122.203 °C
Enthalpy of Vaporization: 51.707 kJ/mol
Boiling Point: 278.45 °C at 760 mmHg
Vapour Pressure: 0.004 mmHg at 25°C
Product Categories: Amines and Anilines; Heterocycles; Piperazine series; API intermediates; Pyrazine
2-Amino-5-chloropyrazine , its cas register number is 33332-29-5. It also can be called 2-amino-5-chloropyrazine 98% ; 2-amino-5-chloropyrazine 98+% ; 5-chloropyrazin-2-amine ; Pyrazinamine,5-chloro- (9CI) ; Pyrazine, 2-amino-5-chloro- (7CI,8CI) ; (5-Chloropyrazin-2-yl)amine .