3-Methyl-5-nitropyridin-4-ol

Base Information

• Chemical Name: 3-Methyl-5-nitropyridin-4-ol
• CAS No.: 856966-91-1
• Molecular Formula: C₆H₆N₂O₃
• Molecular Weight: 154.125
• DSSTox Substance ID: DTXSID70596344
• Wikidata: Q82491576
• Mol file: 856966-91-1.mol

Synonyms:3-Methyl-5-nitropyridin-4-ol;856966-91-1;4-Pyridinol, 3-methyl-5-nitro-;SCHEMBL8159027;DTXSID70596344;3-methyl-5-nitro-1H-pyridin-4-one;3-Methyl-5-nitropyridin-4(1H)-one;DB-325108

Chemical Property of 3-Methyl-5-nitropyridin-4-ol

Chemical Property:

• PSA: 78.68000
• LogP: 1.11470
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 154.03784206
• Heavy Atom Count: 11
• Complexity: 272

Purity/Quality:

4-Hydroxy-3-methyl-5-nitropyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CNC=C(C1=O)[N+](=O)[O-]

Technology Process of 3-Methyl-5-nitropyridin-4-ol

There total 1 articles about 3-Methyl-5-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:

4-nitro-3-methylpyridine (1678-53-1) → 3-Methyl-5-nitro-1H-pyridin-4-one (856966-91-1,179677-16-8)

Guidance literature:

With sulfuric acid; nitric acid; potassium acetate; acetic anhydride; Yield given;

DOI:10.1016/0022-328X(95)05979-Y

Reference yield:

3-Methyl-5-nitro-1H-pyridin-4-one (856966-91-1,179677-16-8) → Diethyl-carbamic acid 2,3-dimethoxy-6-(3-methyl-5-nitro-pyridin-4-yl)-phenyl ester

Guidance literature:

Multi-step reaction with 2 steps

1: 68 percent / POBr₃/PBr₅

2: 80 percent / aq. sodium carbonate, ethanol / tetrakistriphenylphosphine palladium ⁽⁰⁾ / toluene / 18 h / Heating

With ethanol; phosphorus pentabromide; sodium carbonate; phosphorus(V) oxybromide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In toluene;

DOI:10.1016/0022-328X(95)05979-Y

upstream raw materials:

4-nitro-3-methylpyridine

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