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CAS No.: | 22710-07-2 |
---|---|
Name: | 2,3-Dimethylpyridine-N-oxide |
Article Data: | 46 |
Molecular Structure: | |
Formula: | C7H9NO |
Molecular Weight: | 123.155 |
Synonyms: | 2,3-Lutidine,1-oxide (6CI,7CI,8CI);2,3-Dimethylpyridine 1-oxide;2,3-DimethylpyridineN-oxide;2,3-Lutidine-N-oxide;pyridine, 2,3-dimethyl-, 1-oxide;2,3-Lutidine-N-oxide;Dimethylpyridineoxide; |
Density: | 1 g/cm3 |
Melting Point: | 85-93 °C |
Boiling Point: | 298.1 °C at 760 mmHg |
Flash Point: | 134.1 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 25.46000 |
LogP: | 1.73190 |
2,3-Lutidine
2,3-dimethylpyridine 1-oxide
Conditions | Yield |
---|---|
With sodium tungstate; dihydrogen peroxide In water at 55℃; for 3h; Temperature; | 99% |
With 3-chloro-benzenecarboperoxoic acid In Isopropyl acetate at 10 - 35℃; for 5.83333h; Green chemistry; | 98.9% |
With △-Na8H[PW9O34]·19H2O; dihydrogen peroxide In water at 20℃; for 24h; Green chemistry; | 94% |
Conditions | Yield |
---|---|
With sulfuric acid; dihydrogen peroxide In acetic acid |
2,3-Lutidine
3-chloro-benzenecarboperoxoic acid
2,3-dimethylpyridine 1-oxide
Conditions | Yield |
---|---|
With sodium sulfite In dichloromethane; Petroleum ether |
2,3-dimethylpyridine 1-oxide
2-hydroxymethyl-3-methyl pyridine
Conditions | Yield |
---|---|
With trifluoroacetic anhydride In dichloromethane at 23℃; for 40h; Inert atmosphere; Schlenk technique; | 96% |
Multi-step reaction with 2 steps 1: 81 percent / 1 h / Heating 2: 81 percent / 1 N NaOH / methanol / 1.5 h / 25 °C View Scheme | |
Multi-step reaction with 2 steps 1: AcOH / 120 °C 2: 2N aq. NaOH / methanol / 2 h / 25 °C View Scheme | |
Stage #1: 2,3-dimethylpyridine 1-oxide In dichloromethane at 0℃; Stage #2: With trifluoroacetic anhydride at 20 - 45℃; for 7h; |
2,3-dimethylpyridine 1-oxide
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% |
2,3-dimethylpyridine 1-oxide
2,3-dimethyl-4-bromopyridine N-oxide
Conditions | Yield |
---|---|
With bromine In water at 0 - 35℃; for 6h; Temperature; | 92% |
2,3-dimethylpyridine 1-oxide
5-bromo-1,3-xylene
2-(3,5-dimethylbenzyl)-3-methylpyridine 1-oxide
Conditions | Yield |
---|---|
With tris-(dibenzylideneacetone)dipalladium(0); sodium t-butanolate; XPhos In toluene at 110℃; for 0.75h; Inert atmosphere; Microwave irradiation; | 90% |
2,3-dimethylpyridine 1-oxide
acetic anhydride
2-(acetoxymethyl)-3-methylpyridine
Conditions | Yield |
---|---|
for 1h; Heating; | 81% |
Conditions | Yield |
---|---|
With [bis(trifluoromethanesulfonyl)imidate](triphenylphosphine)gold(I) at 20℃; for 5h; | 81% |
2,3-dimethylpyridine 1-oxide
para-bromotoluene
3-methyl-2-(4-methylbenzyl)pyridine 1-oxide
Conditions | Yield |
---|---|
With tris-(dibenzylideneacetone)dipalladium(0); sodium t-butanolate; ruphos In toluene at 70℃; Inert atmosphere; | 76% |
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The 2,3-Dimethylpyridine-N-oxide, with the CAS registry number 22710-07-2, has the systematic name of 2,3-dimethylpyridine 1-oxide, and it is also called Dimethylpyridineoxide. The molecular formula of the chemical is C7H9NO.
The characteristics of this chemical are as followings: (1)ACD/LogP: -0.28; (2)# of Rule of 5 Violations: 0; (3)#Freely Rotating Bonds: 0; (4)Polar Surface Area: 24.11 Å2; (5)Index of Refraction: 1.509; (6)Molar Refractivity: 36.68 cm3; (7)Molar Volume: 122.7 cm3; (8)Polarizability: 14.54×10-24cm3; (9)Surface Tension: 33.1 dyne/cm; (10)Density: 1 g/cm3; (11)Flash Point: 134.1 °C; (12)Enthalpy of Vaporization: 51.65 kJ/mol; (13)Boiling Point: 298.1 °C at 760 mmHg; (14)Vapour Pressure: 0.00229 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [O-][n+]1cccc(c1C)C
(2)InChI: InChI=1/C7H9NO/c1-6-4-3-5-8(9)7(6)2/h3-5H,1-2H3
(3)InChIKey: QWLULCKKOHDCIE-UHFFFAOYAL