3-Hydroxypyridine-4-carboxaldehyde

Base Information

• Chemical Name: 3-Hydroxypyridine-4-carboxaldehyde
• CAS No.: 1849-54-3
• Molecular Formula: C6H5NO2
• Molecular Weight: 123.111
• Hs Code.: 29333990
• European Community (EC) Number: 810-332-5
• DSSTox Substance ID: DTXSID50171673
• Nikkaji Number: J1.651.801H
• Wikipedia: 3-Hydroxyisonicotinaldehyde
• Wikidata: Q72481560
• Mol file: 1849-54-3.mol

Synonyms:3-hydroxy-4-formylpyridine

Chemical Property of 3-Hydroxypyridine-4-carboxaldehyde

Chemical Property:

• Vapor Pressure: 0.000135mmHg at 25°C
• Melting Point: 126-128 °C
• Refractive Index: 1.629
• Boiling Point: 323.835 °C at 760 mmHg
• PKA: pK1:4.05(＋1);pK2:6.77(OH) (25°C)
• Flash Point: 149.65 °C
• PSA: 32.86000
• Density: 1.327 g/cm³
• LogP: 1.52810
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 123.032028402
• Heavy Atom Count: 9
• Complexity: 105

Purity/Quality:

99% ^*data from raw suppliers

3-Hydroxypyridine-4-carboxaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:
• Hazard Codes: R36/37/38:
• Statements: 36/37/38
• Safety Statements: 26-36/37/39-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=CC(=C1C=O)O

Technology Process of 3-Hydroxypyridine-4-carboxaldehyde

There total 5 articles about 3-Hydroxypyridine-4-carboxaldehyde 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: 49.4%

3-methoxymethoxypyridine-4-carbaldehyde (666234-13-5) → 3-hydroxypyridine-4-carboxaldehyde (1849-54-3)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; water; at 60 ℃; for 1h;

Reference yield:

→ 3-hydroxypyridine-4-carboxaldehyde (1849-54-3)

Guidance literature:

With manganese(IV) oxide; ethanol; sulfuric acid;

DOI:10.1016/S0040-4020(01)82610-7

Reference yield:

3-(methoxymethoxy)pyridine (81245-25-2) → 3-hydroxypyridine-4-carboxaldehyde (1849-54-3)

Guidance literature:

Multi-step reaction with 2 steps

1.1: N,N,N,N,-tetramethylethylenediamine; n-butyllithium / tetrahydrofuran; hexane / 2 h / -78 - 25 °C

1.2: 2 h / 25 °C

2.1: hydrogenchloride / tetrahydrofuran / 1 h / 60 °C

With hydrogenchloride; n-butyllithium; N,N,N,N,-tetramethylethylenediamine; In tetrahydrofuran; hexane;

upstream raw materials:

3-(methoxymethoxy)pyridine

3-HYDROXYPYRIDINE

3-methoxymethoxypyridine-4-carbaldehyde

Downstream raw materials:

C₂₆H₂₀F₃N₃O₉

(3-((4,5-dimethoxy-2-nitrobenzyl)oxy)pyridin-4-yl)methanol

C₁₅H₁₄N₂O₆

7-Azacoumarin

Refernces

• 1、 -. "INHIBITORS OF THE KYNURENINE PATHWAY". . . Retrieved 2014/12/12.