2,3-Dimethyl-4-nitropyridine 1-oxide

Base Information

• Chemical Name: 2,3-Dimethyl-4-nitropyridine 1-oxide
• CAS No.: 37699-43-7
• Molecular Formula: C7H8N2O3
• Molecular Weight: 168.152
• Hs Code.: 29333990
• European Community (EC) Number: 609-469-1
• UNII: V7T97WM6BA
• DSSTox Substance ID: DTXSID50191134
• Wikidata: Q72494944
• Mol file: 37699-43-7.mol

Synonyms:37699-43-7;2,3-Dimethyl-4-nitropyridine 1-oxide;2,3-Dimethyl-4-nitropyridine-N-oxide;2,3-Dimethyl-4-nitropyridine N-Oxide;Pyridine, 2,3-dimethyl-4-nitro-, 1-oxide;4-Nitro-2,3-lutidine N-oxide;2,3-dimethyl-4-nitro-1-oxidopyridin-1-ium;2,3-dimethyl-4-nitropyridin-1-ium-1-olate;4-Nitro-2,3-lutidine-N-oxide;BRN 1569438;MFCD00065172;V7T97WM6BA;4-Nitro-2,3-dimethylpyridine N-oxide;2,3-dimethyl-4-nitropyridine-1-oxide;2,3-dimethyl-4-nitro-1-oxido-pyridin-1-ium;UNII-V7T97WM6BA;SCHEMBL539611;DTXSID50191134;2,3-dimethyl-4-nitropyridin-N-oxide;AKOS015842336;AC-1174;GS-6808;4-Nitro-2,3-lutidine N-oxide, 97%;2,3-Dimethyl-4-nitro-pyridine 1-oxide;SY014302;LS-131487;A6436;CS-0135023;D2905;FT-0609698;2,3-DIMETHYL-4-NITRO PYRIDINE-N-OXIDE;EN300-226256;F11238;DIMETHYL-4-NITROPYRIDINE 1-OXIDE, 2,3-;W-202546;2,3-Dimethyl-4-Nitropyridine N-Oxide

Chemical Property of 2,3-Dimethyl-4-nitropyridine 1-oxide

Chemical Property:

• Vapor Pressure: 2.4E-06mmHg at 25°C
• Melting Point: 94-98 °C(lit.)
• Refractive Index: 1.573
• Boiling Point: 403.3 °C at 760 mmHg
• PKA: -1.03±0.10(Predicted)
• Flash Point: 197.7 °C
• PSA: 71.28000
• Density: 1.3 g/cm³
• LogP: 2.16330
• Storage Temp.: Room temperature.
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 168.05349212
• Heavy Atom Count: 12
• Complexity: 180

Purity/Quality:

99% ^*data from raw suppliers

2,3-Dimethyl-4-nitropyridine N-Oxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-20/21/22
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=C(C=C[N+](=C1C)[O-])[N+](=O)[O-]
• Uses: Nitropyridine oxide derivative,Nitropyridine oxide derivatives show carcinogenicity and mutagenicity.

Technology Process of 2,3-Dimethyl-4-nitropyridine 1-oxide

There total 7 articles about 2,3-Dimethyl-4-nitropyridine 1-oxide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 92.9%

2,3-dimethylpyridine 1-oxide (22710-07-2,166521-76-2) → 2,3-dimethyl-4-nitropyridine N-oxide (37699-43-7)

Guidance literature:

With potassium nitrite; sulfuric acid; at -10 - 85 ℃; for 2h; Temperature; Green chemistry;

Reference yield: 47.0%

2-methyl-4-nitropyridine N-oxide (5470-66-6) → 2,3-dimethyl-4-nitropyridine N-oxide (37699-43-7)

Guidance literature:

2-methyl-4-nitropyridine N-oxide; methylmagnesium halide; In tetrahydrofuran; at -60 ℃; Inert atmosphere;

With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In tetrahydrofuran; at -60 - 20 ℃; regioselective reaction; Inert atmosphere;

DOI:10.1021/ol202597b

Reference yield:

2,3-dimethylpyridine 1-oxide (22710-07-2,166521-76-2) + dichloromethane (75-09-2) → 2,3-diemthyl-4-nitropyridine N-oxide + 2,3-dimethyl-4-nitropyridine N-oxide (37699-43-7)

Guidance literature:

With sodium hydroxide; sulfuric acid; nitric acid; In water;

upstream raw materials:

2,3-dimethylpyridine 1-oxide

dichloromethane

sodium carbonate

2-methyl-4-nitropyridine N-oxide

Downstream raw materials:

2-Hydroxymethyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine

lansoprazole sulfide

lansoprasole

4-chloro-2,3-dimethylpyridine-N-oxide

Refernces

• 1、 -. "A 2, 3 - dimethyl -4 - nitro pyridine - N - oxide synthesis method". Paragraph 0013; 0018-0027. . Retrieved 2017/04/29.
• 2、 Lee, Won-Gil,Frey, Kathleen M.,Gallardo-Macias, Ricardo,Spasov, Krasimir A.,Chan, Albert H.,Anderson, Karen S.,Jorgensen, William L.. "Discovery and crystallography of bicyclic arylaminoazines as potent inhibitors of HIV-1 reverse transcriptase". . p. 4824 - 4827. Retrieved 2015/10/28.