Pyridine-3,5-dicarboxaldehyde

Base Information

• Chemical Name: Pyridine-3,5-dicarboxaldehyde
• CAS No.: 6221-04-1
• Molecular Formula: C7H5NO2
• Molecular Weight: 135.122
• DSSTox Substance ID: DTXSID60479435
• Nikkaji Number: J149.547J
• Wikidata: Q82313453
• Mol file: 6221-04-1.mol

Synonyms:Pyridine-3,5-dicarbaldehyde;6221-04-1;Pyridine-3,5-dicarboxaldehyde;3,5-Pyridinedicarboxaldehyde;SCHEMBL1663512;DTXSID60479435;AKOS006305742;FT-0693905;EN300-657318

Chemical Property of Pyridine-3,5-dicarboxaldehyde

Chemical Property:

• Vapor Pressure: 0.002mmHg at 25°C
• Melting Point: 95 °C
• Refractive Index: 1.633
• Boiling Point: 292.139°C at 760 mmHg
• PKA: 1.63±0.20(Predicted)
• Flash Point: 134.875°C
• PSA: 47.03000
• Density: 1.275g/cm³
• LogP: 0.70660
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 135.032028402
• Heavy Atom Count: 10
• Complexity: 122

Purity/Quality:

99% ^*data from raw suppliers

PYRIDINE-3,5-DICARBALDEHYDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=NC=C1C=O)C=O

Technology Process of Pyridine-3,5-dicarboxaldehyde

There total 7 articles about Pyridine-3,5-dicarboxaldehyde 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: 54.0%

Pyridine-3,5-dicarboxylic acid bis-(methoxy-methyl-amide) (174496-55-0) → pyridine-3,5-bis-carbaldehyde (6221-04-1)

Guidance literature:

With diisobutylaluminium hydride; In tetrahydrofuran; toluene; at -78 ℃; Inert atmosphere;

DOI:10.1016/j.jorganchem.2018.03.010

Reference yield: 37.0%

pyridine-3,5-dicarbonyl dichloride (15074-61-0) → pyridine-3,5-bis-carbaldehyde (6221-04-1)

Guidance literature:

With lithium tri(t-butoxy)aluminum hydride; In tetrahydrofuran; at -78 ℃; for 1h;

DOI:10.1016/S0040-4039(00)73388-0

Reference yield: 32.0%

5-benzyl-6-methyl-2,3-diphenyl-3H-pyrimidin-4-one (680860-26-8) → pyridine-3,5-bis-carbaldehyde (6221-04-1)

Guidance literature:

With manganese(IV) oxide; In dichloromethane; at 20 ℃; for 2h;

DOI:10.1021/ol049912m

upstream raw materials:

pyridine-3,5-dicarbonyl dichloride

3,5-Lutidine

5-benzyl-6-methyl-2,3-diphenyl-3H-pyrimidin-4-one

C₂₁H₂₁N₅O₆S₂

Downstream raw materials:

Triphenylphosphine oxide

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