2,6-Dimethyl-3-nitropyridin-4-ol

Base Information

• Chemical Name: 2,6-Dimethyl-3-nitropyridin-4-ol
• CAS No.: 13603-45-7
• Molecular Formula: C₇H₈N₂O₃
• Molecular Weight: 168.152
• Hs Code.: 2933399990
• DSSTox Substance ID: DTXSID40338455
• Wikidata: Q82106839
• Mol file: 13603-45-7.mol

Synonyms:13603-45-7;2,6-Dimethyl-3-nitropyridin-4-ol;2,6-Dimethyl-3-nitro-4-pyridinol;2,6-Dimethyl-4-hydroxy-3-nitropyridine;2,6-dimethyl-3-nitro-1H-pyridin-4-one;2,6-Dimethyl-3-nitropyridin-4(1H)-one;4-HYDROXY-3-NITRO-2,6-DIMETHYLPYRIDINE;122957-45-3;2,6-Dimethyl-3-nitro-4(1H)-pyridone;SCHEMBL9726864;AMY2953;DTXSID40338455;MFCD18253578;4-Pyridinol 2,6-dimethyl-3-nitro-;AKOS006330882;AKOS015999293;2,6-Dimethyl-3-nitro-4-pyridinol #;SB52374;AS-61031;CS-0061283;2,6-dimethyl-3-nitro-1,4-dihydropyridin-4-one;A886884;Z3235019636

Chemical Property of 2,6-Dimethyl-3-nitropyridin-4-ol

Chemical Property:

• Melting Point: 296 °C
• Boiling Point: 363.7±37.0 °C(Predicted)
• PKA: 0.15±0.33(Predicted)
• PSA: 78.94000
• Density: 1.340±0.06 g/cm3(Predicted)
• LogP: 1.83540
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 168.05349212
• Heavy Atom Count: 12
• Complexity: 309

Purity/Quality:

97% ^*data from raw suppliers

2,6-Dimethyl-3-nitropyridin-4-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=O)C(=C(N1)C)[N+](=O)[O-]

Technology Process of 2,6-Dimethyl-3-nitropyridin-4-ol

There total 7 articles about 2,6-Dimethyl-3-nitropyridin-4-ol 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: 93.0%

2,6-dimethylpyridin-4-ol (13603-44-6) → 2,6-dimethyl-4-hydroxy-3-nitropyridine (13603-45-7)

Guidance literature:

With sulfuric acid; nitric acid;

DOI:10.1016/j.tetlet.2010.03.070

Reference yield: 75.0%

2,6-dimethyl-1H-pyridin-4-one (7516-31-6) → 2,6-dimethyl-3-nitro-4(1H)-pyridone (122957-45-3,13603-45-7)

Guidance literature:

With sulfuric acid; sulfur trioxide; nitric acid; for 72h; Ambient temperature;

DOI:10.1021/jm980399q

Reference yield:

2,6-dimethylpyrone (1004-36-0) → 2,6-dimethyl-3-nitro-4(1H)-pyridone (122957-45-3,13603-45-7)

Guidance literature:

Multi-step reaction with 3 steps

1: 79 percent / 10 h / 180 °C

2: 87 percent / HCO₂H, Pd / methanol / 10 h / Heating

3: 75 percent / 30 percent SO₃/H₂SO₄, HNO₃ / 72 h / Ambient temperature

With formic acid; sulfuric acid; sulfur trioxide; nitric acid; palladium; In methanol;

DOI:10.1021/jm980399q

upstream raw materials:

2,6-dimethyl-1H-pyridin-4-one

2,6-dimethylpyridin-4-ol

2,6-dimethylpyrone

1-benzyl-2,6-dimethyl-1H-pyridin-4-one

Downstream raw materials:

3-amino-2,6-dimethylpyridin-4-ol

4-chloro-2,6-dimethyl-3-nitropyridine

3-amino-2,6-dimethyl-4-(4-fluorophenylamino)pyridine

2,6-dimethyl-4-(4-fluorophenylamino)-3-nitropyridine