2,6-Dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid

Base Information

• Chemical Name: 2,6-Dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid
• CAS No.: 88434-68-8
• Molecular Formula: C15H12 N2 O6
• Molecular Weight: 316.27
• Hs Code.: 2933399090
• European Community (EC) Number: 289-413-7
• DSSTox Substance ID: DTXSID90237045
• Nikkaji Number: J348.541B
• Wikidata: Q83119130
• Mol file: 88434-68-8.mol

Synonyms:2,6-Dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid;88434-68-8;EINECS 289-413-7;SCHEMBL6960006;DTXSID90237045;2,6-Dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic acid

Chemical Property of 2,6-Dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid

Chemical Property:

• Vapor Pressure: 3.99E-10mmHg at 25°C
• Boiling Point: 482.6°C at 760 mmHg
• Flash Point: 245.7°C
• PSA: 133.31000
• Density: 1.454g/cm³
• LogP: 3.19320
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 316.06953611
• Heavy Atom Count: 23
• Complexity: 465

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=C(C(=N1)C)C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

Technology Process of 2,6-Dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid

There total 5 articles about 2,6-Dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic 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: 82.0%

Dimethyl 2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate (76258-20-3) → 2,6-Dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic acid (88434-68-8)

Guidance literature:

With sodium hydroxide; In ethanol; for 2h; Heating;

DOI:10.1002/jhet.5570210654

Reference yield: 47.0%

bis(2-cyanoethyl) 2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate → 2,6-Dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic acid (88434-68-8)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; for 0.5h; Ambient temperature;

Reference yield:

m-nifedipine (21881-77-6) → 2,6-Dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic acid (88434-68-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 96 percent / 4N aq. HNO₃ / 1 h / Heating

2: 82 percent / NaOH / aq. ethanol / 2 h / Heating

With sodium hydroxide; nitric acid; In ethanol;

DOI:10.1002/jhet.5570210654

upstream raw materials:

Dimethyl 2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate

m-nifedipine

3-nitro-benzaldehyde

Downstream raw materials:

2,6-dimethyl-4-(3-nitrophenyl)pyridine

4-(3-aminophenyl)-2,6-dimethylpyridine

2-methyl-4-(3-nitro-phenyl)-pyridine

6-Methyl-4-(3-nitrophenyl)-2-pyridinecarboxaldehyde