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| CAS No.: | 37699-43-7 |
|---|---|
| Name: | 4-Nitro-2,3-lutidine-N-oxide |
| Article Data: | 18 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H8N2O3 |
| Molecular Weight: | 168.152 |
| Synonyms: | 2,3-Lutidine,4-nitro-, 1-oxide (7CI);2,3-Dimethyl-4-nitropyridine 1-oxide;2,3-Dimethyl-4-nitropyridine N-oxide;4-Nitro-2,3-dimethylpyridine N-oxide; |
| EINECS: | -0 |
| Density: | 1.3 g/cm3 |
| Melting Point: | 94-98 °C(lit.) |
| Boiling Point: | 403.3 °C at 760 mmHg |
| Flash Point: | 197.7 °C |
| Hazard Symbols: |
 Xn,  Xi
|
| Risk Codes: | 36/37/38-20/21/22 |
| Safety: | 26-36 |
| Transport Information: | UN 2811 |
| PSA: | 71.28000 |
| LogP: | 2.16330 |
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- 43224-75-52,2,6,6-Tetramethyl-4-(2-propyleneoxy) Piperidine
- 22710-07-2
2,3-dimethylpyridine 1-oxide
- 37699-43-7
2,3-dimethyl-4-nitropyridine N-oxide
| Conditions | Yield |
|---|---|
| With potassium nitrite; sulfuric acid at -10 - 85℃; for 2h; Temperature; Green chemistry; | 92.9% |
| With sulfuric acid; nitric acid at 100℃; for 5h; | 78% |
| With sulfuric acid; nitric acid at 95℃; for 20h; | 53% |
- 5470-66-6
2-methyl-4-nitropyridine N-oxide
- 37699-43-7
2,3-dimethyl-4-nitropyridine N-oxide
| Conditions | Yield |
|---|---|
| Stage #1: 2-methyl-4-nitropyridine N-oxide; methylmagnesium halide In tetrahydrofuran at -60℃; Inert atmosphere; Stage #2: With 2,3-dicyano-5,6-dichloro-p-benzoquinone In tetrahydrofuran at -60 - 20℃; Inert atmosphere; regioselective reaction; | 47% |
- 22710-07-2
2,3-dimethylpyridine 1-oxide
A
- 35392-67-7
3-methoxy-2-methyl-6-nitropyridine 1-oxide
B
- 37699-43-7
2,3-dimethyl-4-nitropyridine N-oxide
| Conditions | Yield |
|---|---|
| With nitric acid In acetic acid at 80℃; for 33h; |
- 22710-07-2
2,3-dimethylpyridine 1-oxide
- 75-09-2
dichloromethane
B
- 37699-43-7
2,3-dimethyl-4-nitropyridine N-oxide
| Conditions | Yield |
|---|---|
| With sodium hydroxide; sulfuric acid; nitric acid In water |
- 22710-07-2
2,3-dimethylpyridine 1-oxide
- 497-19-8
sodium carbonate
A
- 2403-02-3
4-carboxy-2-nitropyridine N-oxide
B
- 37699-43-7
2,3-dimethyl-4-nitropyridine N-oxide
| Conditions | Yield |
|---|---|
| With nitric acid |
- 583-61-9
2,3-Lutidine
- 37699-43-7
2,3-dimethyl-4-nitropyridine N-oxide
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: dihydrogen peroxide; acetic acid / 24 h / Reflux 2: nitric acid; sulfuric acid / 24 h / 90 °C View Scheme | |
| Multi-step reaction with 2 steps 1: 3-chloro-benzenecarboperoxoic acid / chloroform / 18 h / 20 °C 2: nitric acid; sulfuric acid / 95 °C View Scheme | |
| Multi-step reaction with 2 steps 1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 0 - 20 °C 2: sulfuric acid; nitric acid / water / 5 h / 95 °C View Scheme |
- 37699-43-7
2,3-dimethyl-4-nitropyridine N-oxide
- 59886-90-7
4-chloro-2,3-dimethylpyridine-N-oxide
| Conditions | Yield |
|---|---|
| With acetyl chloride In ethanol at 65℃; for 5h; | 100% |
| With hydrogenchloride; sodium chloride; benzyltri(n-butyl)ammonium chloride In water; acetonitrile for 12h; Heating / reflux; | 98.5% |
| Stage #1: 2,3-dimethyl-4-nitropyridine N-oxide With hydrogenchloride; benzyltri(n-butyl)ammonium chloride; sodium chloride In water; acetonitrile for 12h; Heating / reflux; Stage #2: In water; acetonitrile pH=9; | 98.5% |
- 37699-43-7
2,3-dimethyl-4-nitropyridine N-oxide
- 2516-33-8
Cyclopropylmethanol
- 206990-47-8
4-Cyclopropylmethoxy-2,3-dimethyl-pyridine 1-oxide
| Conditions | Yield |
|---|---|
| With benzyltri(n-butyl)ammonium chloride; potassium hydrogencarbonate In acetonitrile for 24h; Heating; | 100% |
- 67-56-1
methanol
- 37699-43-7
2,3-dimethyl-4-nitropyridine N-oxide
- 102625-96-7
4-methoxy-2,3-dimethylpyridine 1-oxide
| Conditions | Yield |
|---|---|
| With potassium carbonate for 2h; Heating; | 99% |
| With potassium carbonate at 0 - 65℃; for 4h; | 83% |
| With potassium carbonate for 20h; Heating; | 82% |
| With potassium carbonate In acetonitrile at 0℃; Reflux; | 47% |
| With sodium methylate at 40℃; for 16h; |
- 37699-43-7
2,3-dimethyl-4-nitropyridine N-oxide
- 75-36-5
acetyl chloride
- 59886-90-7
4-chloro-2,3-dimethylpyridine-N-oxide
| Conditions | Yield |
|---|---|
| Stage #1: 2,3-dimethyl-4-nitropyridine N-oxide; acetyl chloride In ethanol at 65℃; Large scale reaction; Stage #2: With sodium hydroxide In ethanol; water; toluene pH=7.5 - 8.5; Large scale reaction; | 96% |
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Chemistry
Molecular structure of 4-Nitro-2,3-lutidine-N-oxide (CAS NO.37699-43-7) is:
Product Name: 4-Nitro-2,3-lutidine-N-oxide
CAS Registry Number: 37699-43-7
IUPAC Name: 2,3-dimethyl-4-nitro-1-oxidopyridin-1-ium
Molecular Weight: 168.15002 [g/mol]
Molecular Formula: C7H8N2O3
XLogP3-AA: 0.5
H-Bond Donor: 0
H-Bond Acceptor: 3
Melting Point: 94-98 °C(lit.)
Surface Tension: 49.2 dyne/cm
Density: 1.3 g/cm3
Flash Point: 197.7 °C
Enthalpy of Vaporization: 62.9 kJ/mol
Boiling Point: 403.3 °C at 760 mmHg
Vapour Pressure: 2.4E-06 mmHg at 25°C
Product Categories: Pyridines;Pyridines derivates;C7 and C8;Heterocyclic Building Blocks
Uses
4-Nitro-2,3-lutidine-N-oxide (CAS NO.37699-43-7) is used as an intermediate of drug lansoprazole.
Toxicity Data With Reference
| 1. | mmo-sat 100 nmol/plate | GANNA2 Gann. Japanese Journal of Cancer Research. 70 (1979),799. | ||
| 2. | dnr-esc 500 µg/well | CNREA8 Cancer Research. 32 (1972),2369. |
Safety Profile
Safty information about 4-Nitro-2,3-lutidine-N-oxide (CAS NO.37699-43-7) is:
Hazard Codes: 
Xi,Xn
Risk Statements: 36/37/38-20/21/22
R36/37/38:Irritating to eyes, respiratory system and skin.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
RIDADR: 2811
WGK Germany: 3
RTECS: UT2807000
HazardClass: 6.1
PackingGroup: III
Specification
4-Nitro-2,3-lutidine-N-oxide , its cas register number is 37699-43-7. It also can be called 2,3-Dimethyl-4-nitropyridine 1-oxide ; Pyridine, 2,3-dimethyl-4-nitro-, 1-oxide .