4-Methyl-5-nitro-2-pyridinecarboxylic acid

Base Information

• Chemical Name: 4-Methyl-5-nitro-2-pyridinecarboxylic acid
• CAS No.: 5832-43-9
• Molecular Formula: C7H6N2O4
• Molecular Weight: 182.13
• Hs Code.: 2933399090
• European Community (EC) Number: 826-862-5
• DSSTox Substance ID: DTXSID40496645
• Wikidata: Q72493813
• Mol file: 5832-43-9.mol

Synonyms:5832-43-9;4-Methyl-5-nitro-2-pyridinecarboxylic acid;4-Methyl-5-nitropicolinic acid;4-methyl-5-nitropyridine-2-carboxylic acid;MFCD07368386;4-methyl-5-nitro-pyridine-2-carboxylic acid;4-Methyl-5-nitropicolinicacid;SCHEMBL5252542;DTXSID40496645;WRCSKWMCSRGUTG-UHFFFAOYSA-N;AKOS006287014;AM804084;DS-12744;SY106232;CS-0035979;FT-0650848;A831829

Chemical Property of 4-Methyl-5-nitro-2-pyridinecarboxylic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.608
• Boiling Point: 388.667 °C at 760 mmHg
• Flash Point: 188.859 °C
• PSA: 96.01000
• Density: 1.477 g/cm³
• LogP: 1.51960
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 182.03275668
• Heavy Atom Count: 13
• Complexity: 225

Purity/Quality:

99%, ^*data from raw suppliers

4-Methyl-5-nitro-2-pyridinecarboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Methyl-5-nitro-2-pyridinecarboxylic acid

There total 2 articles about 4-Methyl-5-nitro-2-pyridinecarboxylic acid 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: 95.0%

4-methyl-5-nitropyridine-2-carboxaldehyde (5832-38-2) → 4-Methyl-5-nitro-pyridin-2-carbonsaeure (5832-43-9)

Guidance literature:

With formic acid; dihydrogen peroxide; at 0 - 4 ℃; for 12h;

DOI:10.1055/s-1993-25851

Reference yield:

→ 4-Methyl-5-nitro-pyridin-2-carbonsaeure (5832-43-9)

Guidance literature:

4-Methyl-5-nitro-2-styryl-pyridin, KMnO4, Acn., Kuehlung;

Reference yield:

4-Methyl-5-nitro-pyridin-2-carbonsaeure (5832-43-9) → methyl 5-amino-4-methylpyridine-2-carboxylate (868551-99-9)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogenchloride / 18 h / Reflux

2: palladium 10% on activated carbon; hydrogen / ethanol / 26 h / 20 °C / 2016.93 - 2327.23 Torr

With hydrogenchloride; palladium 10% on activated carbon; hydrogen; In ethanol;

upstream raw materials:

4-methyl-5-nitropyridine-2-carboxaldehyde

Downstream raw materials:

methyl 5-amino-4-methylpyridine-2-carboxylate

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