2-HYDROXY-4-PYRIDINECARBOXALDEHYDE

Base Information

• Chemical Name: 2-HYDROXY-4-PYRIDINECARBOXALDEHYDE
• CAS No.: 188554-13-4
• Molecular Formula: C6H5NO2
• Molecular Weight: 123.111
• Hs Code.: 2933399090
• European Community (EC) Number: 820-075-0
• DSSTox Substance ID: DTXSID40363762
• Wikidata: Q72481554
• Mol file: 188554-13-4.mol

Synonyms:2-Hydroxy-4-pyridinecarboxaldehyde;2-Oxo-1,2-dihydropyridine-4-carboxaldehyde;4-Formylpyridin-2(1H)-one;6-Oxo-1,6-dihydropyridine-4-carboxaldehyde;

Chemical Property of 2-HYDROXY-4-PYRIDINECARBOXALDEHYDE

Chemical Property:

• Vapor Pressure: 0.000341mmHg at 25°C
• Melting Point: 79-81 °C
• Refractive Index: 1.647
• Boiling Point: 333.7 °C at 760 mmHg
• PKA: 11.17±0.10(Predicted)
• Flash Point: 175.1 °C
• PSA: 50.19000
• Density: 1.365 g/cm³
• LogP: 0.59970
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 123.032028402
• Heavy Atom Count: 9
• Complexity: 203

Purity/Quality:

97% ^*data from raw suppliers

2-Hydroxy-4-pyridinecarboxaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36-43
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CNC(=O)C=C1C=O

Technology Process of 2-HYDROXY-4-PYRIDINECARBOXALDEHYDE

There total 4 articles about 2-HYDROXY-4-PYRIDINECARBOXALDEHYDE 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: 64.0%

4-methyl-1H-pyridin-2-one (13466-41-6) → 2-hydroxypyridine-4-carboxaldehyde (188554-13-4)

Guidance literature:

With selenium(IV) oxide; In 1,4-dioxane; Heating;

DOI:10.1021/ja9700414

Reference yield: 52.0%

2-hydroksy-4-methyl-pyridine (13466-41-6,91914-05-5) → 2-hydroxypyridine-4-carboxaldehyde (188554-13-4)

Guidance literature:

With selenium(IV) oxide; In 1,4-dioxane;

DOI:10.1016/S0960-894X(01)00314-6

Reference yield:

2-hydroksy-4-methyl-pyridine (13466-41-6,91914-05-5) → 2-oxo-1,2-dihydropyridine-4-carbaldehyde (188554-13-4) + 2-[(4-(1,2-Dihydro-2-oxo)pyridyl)methyl]amino-N-[3-(trifluoromethyl)phenyl] benzamide

Guidance literature:

upstream raw materials:

4-methyl-1H-pyridin-2-one

2-hydroksy-4-methyl-pyridine

Downstream raw materials:

C₁₂H₈BrNO₂

4-[(E)-2-(4-fluorophenyl)vinyl]pyridin-2-ol

C₂₅H₂₆ClFN₄O₂

C₁₈H₁₄BrN₅O