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CAS No.: | 66521-66-2 |
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Name: | 4-(3-Pyridinyl)-2-aminopyrimidine |
Article Data: | 36 |
Molecular Structure: | |
Formula: | C9H8N4 |
Molecular Weight: | 172.189 |
Synonyms: | 4-(3-Pyridyl)-2-pyrimidinamine;4-(Pyridin-3-yl)pyrimidin-2-amine; |
EINECS: | 1312995-182-4 |
Density: | 1.259 g/cm3 |
Melting Point: | 189-191 °C |
Boiling Point: | 439.9 °C at 760 mmHg |
Flash Point: | 250 °C |
Hazard Symbols: | T |
Risk Codes: | 25-20/21/22 |
Safety: | 45-36/37 |
PSA: | 64.69000 |
LogP: | 1.70200 |
guanidine nitrate
(E)-3-(dimethylamino)-1-(pyridin-3-yl)prop-2-en-1-one
4-pyridin-3-ylpyrimidin-2-ylamine
Conditions | Yield |
---|---|
In butan-1-ol for 12h; Reflux; | 93% |
With sodium hydroxide In butan-1-ol for 20h; Reflux; Inert atmosphere; | 76% |
With sodium hydroxide In butan-1-ol for 24h; Reflux; | 4.49 g |
guanidine hydrochloride
3-(N,N-dimethylamino)-1-(pyridin-3-yl)prop-2-en-1-one
4-pyridin-3-ylpyrimidin-2-ylamine
Conditions | Yield |
---|---|
With sodium hydroxide In tert-butyl alcohol at 85℃; | 90% |
With potassium carbonate In propan-1-ol Reflux; Inert atmosphere; | 87% |
With sodium hydroxide In butan-1-ol Reflux; | 85% |
2-chloro-4-(pyridin-3-yl)pyrimidine
4-pyridin-3-ylpyrimidin-2-ylamine
Conditions | Yield |
---|---|
With ammonium hydroxide In water at 80℃; for 16h; Sealed tube; | 87% |
guanidine nitrate
3-(N,N-dimethylamino)-1-(pyridin-3-yl)prop-2-en-1-one
4-pyridin-3-ylpyrimidin-2-ylamine
Conditions | Yield |
---|---|
With sodium hydroxide In butan-1-ol for 12h; Inert atmosphere; Schlenk technique; Reflux; | 85.5% |
With sodium hydroxide In butan-1-ol for 16h; Reflux; | 85% |
With sodium hydroxide In butan-1-ol for 16h; Reflux; | 67% |
With sodium hydroxide In butan-1-ol for 12h; Reflux; | |
With sodium hydroxide In butan-1-ol at 90℃; for 0.333333h; Microwave irradiation; | 1.18 g |
2-amino-4-chloropyrimidine
3-pyridylboronic acid
4-pyridin-3-ylpyrimidin-2-ylamine
Conditions | Yield |
---|---|
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; sodium carbonate In 1,4-dioxane; water at 100℃; for 6h; Inert atmosphere; | 81% |
With 1-(2,6-diisopropylphenyl)-3-(2-oxo-2-(2,4,6-tri-tert-butylphenylamino)ethyl)-1H-imidazol-3-ium bromide; palladium diacetate; sodium hydroxide In water; dimethyl sulfoxide at 100℃; for 10h; Suzuki Coupling; | 72% |
3-(N,N-dimethylamino)-1-(pyridin-3-yl)prop-2-en-1-one
4-pyridin-3-ylpyrimidin-2-ylamine
Conditions | Yield |
---|---|
With guanidine hydrochloride; sodium hydroxide In isopropyl alcohol for 12h; Reflux; | 75% |
With guanidine hydrochloride; sodium hydroxide In isopropyl alcohol for 18h; Inert atmosphere; Reflux; | 65% |
With guanidine hydrochloride; sodium ethanolate In ethanol for 8h; Heating; | |
Multi-step reaction with 2 steps 1.1: nitric acid / ethanol / 0 °C 1.2: Reflux 1.3: Reflux 2.1: PYRIMIDINE; hydrazine hydrate / methanol / 0.25 h / 50 - 60 °C View Scheme | |
Multi-step reaction with 2 steps 1.1: nitric acid / ethanol / 0 °C 1.2: Reflux 1.3: Reflux 2.1: PYRIMIDINE; hydrazine hydrate / methanol / 0.25 h / 50 - 60 °C View Scheme |
guanidine hydrochloride
(E)-3-(dimethylamino)-1-(pyridin-3-yl)prop-2-en-1-one
4-pyridin-3-ylpyrimidin-2-ylamine
Conditions | Yield |
---|---|
With sodium ethanolate In ethanol for 6h; Heating; | 73% |
With sodium hydroxide In butan-1-ol at 85℃; for 12h; Solvent; | 72% |
With sodium hydroxide In butan-1-ol for 12h; Reflux; | 5.162 g |
(Z)-3-chloro-3-(pyridin-3-yl)acrylaldehyde
guanidine hydrochloride
4-pyridin-3-ylpyrimidin-2-ylamine
Conditions | Yield |
---|---|
With potassium carbonate In methanol at 20℃; Reflux; | 71% |
N-[4-(pyridin-3-yl)pyrimidin-2-yl]cyanamide
4-pyridin-3-ylpyrimidin-2-ylamine
Conditions | Yield |
---|---|
Stage #1: N-[4-(pyridin-3-yl)pyrimidin-2-yl]cyanamide With PYRIMIDINE; hydrazine hydrate In methanol at 50 - 60℃; for 0.25h; Stage #2: In water | 70% |
CYANAMID
3-(N,N-dimethylamino)-1-(pyridin-3-yl)prop-2-en-1-one
2-nitro-aniline
4-pyridin-3-ylpyrimidin-2-ylamine
Conditions | Yield |
---|---|
Stage #1: 2-nitro-aniline With nitric acid In ethanol at 0℃; Stage #2: CYANAMID In water pH=Ca. 3; Reflux; Stage #3: 3-(N,N-dimethylamino)-1-(pyridin-3-yl)prop-2-en-1-one In isopropyl alcohol Reflux; | 70% |
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Following is the structure of 2-Pyrimidinamine,4-(3-pyridinyl)- (CAS NO.66521-66-2):
Empirical Formula: C9H8N4
Molecular Weight: 172.1866
Index of Refraction: 1.641
Molar Refractivity: 49.35 cm3
Molar Volume: 136.6 cm3
Density: 1.259 g/cm3
Flash Point: 250 °C
Surface Tension: 65.5 dyne/cm
Enthalpy of Vaporization: 69.7 kJ/mol
Boiling Point of 2-Pyrimidinamine,4-(3-pyridinyl)- (CAS NO.66521-66-2): 439.9 °C at 760 mmHg
Vapour Pressure of 2-Pyrimidinamine,4-(3-pyridinyl)- (CAS NO.66521-66-2): 6.13E-08 mmHg at 25 °C
SMILES: Nc1nc(ccn1)c2cnccc2
InChI: InChI=1/C9H8N4/c10-9-12-5-3-8(13-9)7-2-1-4-11-6-7/h1-6H,(H2,10,12,13)
InChIKey: LQHQKYWYKPLKCH-UHFFFAOYAE
2-Pyrimidinamine,4-(3-pyridinyl)- , its cas register number 66521-66-2. It also can be called 4-(Pyridin-3-yl)pyrimidin-2-amine ; and 4-pyridin-3-ylpyrimidin-2-amine .