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CAS No.: | 452-58-4 |
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Name: | 2,3-Diaminopyridine |
Article Data: | 27 |
Molecular Structure: | |
Formula: | C5H7N3 |
Molecular Weight: | 109.131 |
Synonyms: | 2,3-Pyridinediamine (9CI);Pyridine-2,3-diyldiamine;pyridine-2,3-diamine;Pyridine, 2,3-diamino-;5-22-11-00241 (Beilstein Handbook Reference);1H-pyridine-5,6-diamine;2, 3-Pyridinediamine; |
EINECS: | 207-200-9 |
Density: | 1.251 g/cm3 |
Melting Point: | 110-115 °C(lit.) |
Boiling Point: | 311.3 °C at 760 mmHg |
Flash Point: | 167.7 °C |
Solubility: | 100 g/L (20 °C) in water |
Appearance: | brown power |
Hazard Symbols: | Xn, Xi, T |
Risk Codes: | 22-36/37/38-25 |
Safety: | 26-36/37-45-37/39-28A-36 |
Transport Information: | UN 2811 |
PSA: | 64.93000 |
LogP: | 1.40840 |
3,3'-dinitro-2,2'-hydrazobipyridine
2,3-Diaminopyridine
Conditions | Yield |
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With hydrogen; nickel In ethanol under 3102.9 Torr; for 3h; Ambient temperature; | 92% |
Conditions | Yield |
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With sulfur; sodium hydroxide In methanol; water at 80℃; for 16h; Green chemistry; | 89% |
With hydrogen; palladium on activated charcoal In ethyl acetate at 20 - 35℃; under 3102.9 Torr; other solvent; | 80% |
With hydrogenchloride; ethanol; iron |
2-Hydrazino-3-nitropyridine
2,3-Diaminopyridine
Conditions | Yield |
---|---|
With hydrogen; nickel In tetrahydrofuran; ethanol at 65℃; under 3102.9 Torr; for 16h; | 70% |
Multi-step reaction with 2 steps 1: 31 percent / (C2H5)3N / ethanol / 96 h / Heating 2: 92 percent / H2 / Raney Ni / ethanol / 3 h / 3102.9 Torr / Ambient temperature View Scheme |
2-amino-3-nitropyridine 1-oxide
2,3-Diaminopyridine
Conditions | Yield |
---|---|
With sulfur; sodium hydroxide In methanol; water at 80℃; for 16h; Green chemistry; | 68% |
Conditions | Yield |
---|---|
With zinc ammonium chloride at 220℃; for 5h; Autoclave; | 60% |
With ammonium hydroxide; copper(II) sulfate at 130℃; under 13239.1 Torr; |
2-nitro-3-azidopyridine
2,3-Diaminopyridine
Conditions | Yield |
---|---|
With hydrazine hydrate In ethanol for 0.5h; | 50% |
With hydrazine hydrate In ethanol for 0.5h; Mechanism; | 50% |
A
2,3-Diaminopyridine
B
6-chloropyridine-2,3-diamine
Conditions | Yield |
---|---|
With palladium 10% on activated carbon; hydrogen; sodium hydrogencarbonate In methanol at 20℃; under 760.051 Torr; for 2h; Sealed tube; Overall yield = 87 %Spectr.; chemoselective reaction; | A 45% B 42% |
Conditions | Yield |
---|---|
With hydrogen; palladium on activated charcoal In ethanol at 80℃; under 3102.9 Torr; for 18h; | 41% |
2-amino-3-azidopyridine
isobutyraldehyde
A
2,3-Diaminopyridine
B
2-(1-methylethyl)imidazo[4,5-b]pyridine
Conditions | Yield |
---|---|
In ethanol for 24h; Heating; | A 33% B 8% |
Conditions | Yield |
---|---|
With sulfuric acid; zinc In methanol; water at 90℃; for 48h; | 20% |
With sodium hydroxide; aluminum nickel |
The 2,3-diaminopyridine, with the cas registry number 452-58-4, has the IUPAC name of pyridine-2,3-diamine. This is a kind of brown power and is sensitive to air. Besides, its product categories are various, including pyridines, pyrimidines, purines and pteredines; amines; pyridines derivates; highly purified reagents; other categories; refined products by sublimation; boronic acid; c5; heterocyclic building blocks.
The characteristics of this kind of chemical are as follows: (1)ACD/LogP: 0.27; (2)ACD/LogD (pH 5.5): -0.55; (3) ACD/LogD (pH 7.4): 0.24; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 5.06; (7)ACD/KOC (pH 7.4): 31.19; (8)#H bond acceptors: 3; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 19.37; (12)Index of Refraction: 1.676; (13)Molar Refractivity: 32.81 cm3; (14)Molar Volume: 87.2 cm3; (15)Polarizability: 13 ×10-24 cm3; (16)Surface Tension: 70.9 dyne/cm; (17)Density: 1.251 g/cm3; (18)Flash Point: 167.7 °C; (19)Enthalpy of Vaporization: 55.22 kJ/mol; (20)Boiling Point: 311.3 °C at 760 mmHg; (21)Vapour Pressure: 0.00057 mmHg at 25°C; (22)Exact Mass: 109.063997; (23)MonoIsotopic Mass:109.063997; (24)Topological Polar Surface Area: 64.9; (25)Heavy Atom Count: 8; (26)Formal Charge: 0; (27)Complexity: 74.1.
The production method of this chemical is as below: 3-nitro-pyridin-2-ylamine could react to produce 2,3-diaminopyridine, with the following condition: reagent: iron; concentrated aqueous HCl; ethanol.
The use of this chemical is as below: 2,3-diaminopyridine could react with 2-oxo-propionic acid ethyl ester to produce 2-methyl-4H-pyrido[2,3-b]pyrazin-3-one, with the following condition: reagent: benzene.
When you are dealing with this chemical, you should be very careful and then take some measures to protect yourself. For being a kind of irritant chemical, it is irritating to eyes, respiratory system and skin and may cause inflammation to the skin or other mucous membranes. Then it is a kind of toxic chemical which may cause damage to health. Therefore, you should take the following instructions. Wear suitable gloves and eye/face protection and protective clothing. If in case of contacting with eyes, rinse immediately with plenty of WATER and seek medical advice, and if in case of accident or if you feel unwell, seek medical advice immediately (show label where possible). Besides, after contacting with skin, wash immediately with plenty of ... (to be specified by the manufacturer).
Additionally, the following datas could be converted into the molecular structure:
(1)Canonical SMILES: C1=CC(=C(N=C1)N)N
(2)InChI: InChI=1S/C5H7N3/c6-4-2-1-3-8-5(4)7/h1-3H,6H2,(H2,7,8)
(3)InChIKey: ZZYXNRREDYWPLN-UHFFFAOYSA-N
Below are the toxicity information of this chemical:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 25mg/kg (25mg/kg) | Journal of Medicinal Chemistry. Vol. 8, Pg. 296, 1965. |