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| CAS No.: | 5093-64-1 |
|---|---|
| Name: | 2-Acetamido-5-nitropyridine |
| Article Data: | 20 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H7N3O3 |
| Molecular Weight: | 181.151 |
| Synonyms: | Acetamide,N-(5-nitro-2-pyridyl)- (8CI);Pyridine, 2-acetamido-5-nitro- (6CI,7CI);2-Acetylamino-5-nitropyridine;N-(5-Nitropyridin-2-yl)acetamide;NSC 402463; |
| EINECS: | -0 |
| Density: | 1.419 g/cm3 |
| Melting Point: | 199-203 °C(lit.) |
| Boiling Point: | 437.1 °C at 760 mmHg |
| Flash Point: | 218.1 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 37/38-41 |
| Safety: | 26-36/37/39 |
| PSA: | 87.81000 |
| LogP: | 1.54440 |
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- 4214-76-0
5-nitro-pyridin-2-ylamine
A
- 29958-14-3
N-(5-aminopyridin-2-yl)acetamide
B
- 5093-64-1
2-acetamido-5-nitropyridine
| Conditions | Yield |
|---|---|
| With sulfuric acid In acetic anhydride | A n/a B 98% |
| Conditions | Yield |
|---|---|
| With pyridine; dmap at 0 - 20℃; | 86% |
| With pyridine; dmap at 0 - 25℃; for 5h; | 86% |
| at 130℃; for 1.5h; | 81% |
| Conditions | Yield |
|---|---|
| With pyridine In tetrahydrofuran at 0 - 20℃; for 2h; | 80.1% |
| With triethylamine In dichloromethane at 20℃; for 6h; | 77% |
| With dmap; triethylamine In tetrahydrofuran; ethyl acetate | |
| With dmap; triethylamine In tetrahydrofuran for 24h; Heating / reflux; |
- 4214-76-0
5-nitro-pyridin-2-ylamine
- 127-19-5
N,N-dimethyl acetamide
- 5093-64-1
2-acetamido-5-nitropyridine
| Conditions | Yield |
|---|---|
| Stage #1: N,N-dimethyl acetamide With 1,1'-carbonyldiimidazole at 120 - 125℃; for 0.5h; Inert atmosphere; Stage #2: 5-nitro-pyridin-2-ylamine at 60 - 65℃; for 5.5h; Inert atmosphere; | 70% |
- 1122-58-3
dmap
- 4214-76-0
5-nitro-pyridin-2-ylamine
- 75-36-5
acetyl chloride
- 5093-64-1
2-acetamido-5-nitropyridine
| Conditions | Yield |
|---|---|
| With potassium carbonate; triethylamine In dichloromethane | 49% |
| With potassium carbonate; triethylamine In dichloromethane | 49% |
| Conditions | Yield |
|---|---|
| Stage #1: acetamide With sodium hydride In dimethyl sulfoxide for 2h; Stage #2: 3-nitropyridine With potassium hexacyanoferrate(III) In dimethyl sulfoxide at 20℃; for 2h; | 34% |
| Conditions | Yield |
|---|---|
| With dmap; N2; triethylamine In CH2C12 |
- 5093-64-1
2-acetamido-5-nitropyridine
- 29958-14-3
N-(5-aminopyridin-2-yl)acetamide
| Conditions | Yield |
|---|---|
| With hydrogen; palladium on activated charcoal In ethanol for 3.5h; | 98% |
| With water; ammonium chloride; zinc In ethanol at 20℃; for 5h; | 84% |
| With hydrogen; palladium on activated charcoal In methanol |
| Conditions | Yield |
|---|---|
| In ethanol; chloroform | 20% |
| In ethanol; chloroform | 20% |
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Chemistry
Product Name: 2-Acetamido-5-nitropyridine (CAS NO.5093-64-1)
Molecular Formula: C7H7N3O3
Molecular Weight: 181.15g/mol
Mol File: 5093-64-1.mol
Melting Point: 199-203 °C(lit.)
Boiling point: 437.1 °C at 760 mmHg
Flash Point: 1.419 g/cm3
Density: 218.1 °C
Surface Tension: 63.8 dyne/cm
Enthalpy of Vaporization: 69.36 kJ/mol
Vapour Pressure: 7.69E-08 mmHg at 25°C
XLogP3-AA: 0.2
H-Bond Donor: 1
H-Bond Acceptor: 4
Structure Descriptors of 2-Acetamido-5-nitropyridine (CAS NO.5093-64-1):
IUPAC Name: N-(5-nitropyridin-2-yl)acetamide
Canonical SMILES: CC(=O)NC1=NC=C(C=C1)[N+](=O)[O-]
InChI: InChI=1S/C7H7N3O3/c1-5(11)9-7-3-2-6(4-8-7)10(12)13/h2-4H,1H3,(H,8,9,11)
InChIKey: XKAASKOXADTLIG-UHFFFAOYSA-N
Product Categories: Pyridine; C7 and C8; Heterocyclic Building Blocks; Pyridines
Safety Profile
Safety Information of 2-Acetamido-5-nitropyridine (CAS NO.5093-64-1):
Hazard Codes: Xi 
Risk Statements: 37/38-41
37: Irritating to the respiratory system
38: Irritating to the skin
41: Risk of serious damage to eyes
Safety Statements: 26-36/37/39
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
37: Wear suitable gloves
39: Wear eye/face protection
WGK Germany: 3
Hazard Note: Irritant
HazardClass: IRRITANT
Specification
2-Acetamido-5-nitropyridine , its CAS NO. is 5093-64-1, the synonym is N-{5-nitro-2-pyridinyl}acetamide .