6-Hydroxynicotinaldehyde

Base Information

• Chemical Name: 6-Hydroxynicotinaldehyde
• CAS No.: 106984-91-2
• Molecular Formula: C6H5NO2
• Molecular Weight: 123.111
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID00446303
• Nikkaji Number: J416.517I
• Wikidata: Q72481551
• Mol file: 106984-91-2.mol

Synonyms:6-Hydroxynicotinaldehyde;106984-91-2;2-hydroxy-5-formylpyridine;6-Hydroxypyridine-3-Carbaldehyde;6-Oxo-1,6-dihydropyridine-3-carbaldehyde;6-Hydroxy-3-pyridinecarboxaldehyde;6-oxo-1H-pyridine-3-carbaldehyde;3-Pyridinecarboxaldehyde, 1,6-dihydro-6-oxo-;MFCD03094941;2-Hydroxy-5-formylpyridine;5-formyl-2-pyridone;SCHEMBL435100;DTXSID00446303;BUMAFTGGYPBHHK-UHFFFAOYSA-N;2-hydroxypyridine-5-carboxaldehyde;BCP31382;CGA255548;AKOS005072121;AKOS022633011;AC-6612;CB-0744;CS-W019709;2-hydroxy-5-formylpyridine, AldrichCPR;BL005396;SY018144;AM20070222;FT-0646853;EN300-103521;W-204620;6-oxo-1,6-dihydro-pyridine-3-carbaldehyde, AldrichCPR;Z1741969170

Chemical Property of 6-Hydroxynicotinaldehyde

Chemical Property:

• Vapor Pressure: 0.000134mmHg at 25°C
• Melting Point: 216-220 °C
• Refractive Index: 1.636
• Boiling Point: 333.73 °C at 760 mmHg
• PKA: 10.18±0.10(Predicted)
• Flash Point: 175.085 °C
• PSA: 50.19000
• Density: 1.366 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:

99% ^*data from raw suppliers

6-Hydroxynicotinaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-43-36-22
• Safety Statements: 26-36/37/39-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=O)NC=C1C=O

Technology Process of 6-Hydroxynicotinaldehyde

There total 14 articles about 6-Hydroxynicotinaldehyde 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: 98.0%

6-methoxy-3-pyridinecarboxaldehyde (65873-72-5) → 6-oxo-1,6-dihydropyridine-3-carbaldehyde (106984-91-2)

Guidance literature:

With hydrogen bromide; at 150 ℃; for 1h;

DOI:10.1021/ja9711122

Reference yield: 65.0%

2-oxo-2H-pyran-5-carbaldehyde (18327-02-1) → 6-oxo-1,6-dihydropyridine-3-carbaldehyde (106984-91-2)

Guidance literature:

With 1,1,1,3,3,3-hexamethyl-disilazane; In acetonitrile; at 25 ℃; for 24h;

DOI:10.1055/s-1991-26600

Reference yield: 60.2%

6-acetoxy-3-pyridinecarbaldehyde diacetate → 2-hydroxypyridine-5-carboxaldehyde (106984-91-2)

Guidance literature:

In water; for 0.5h; Heating;

upstream raw materials:

6-methoxy-3-pyridinecarboxaldehyde

2-oxo-2H-pyran-5-carbaldehyde

2-methoxy-5-bromopyridine

2,5-dibromopyridine

Downstream raw materials:

1-isopropyl-6-oxo-1,6-dihydro-pyridine-3-carbaldehyde

1-ethyl-6-oxo-1,6-dihydropyridine-3-carbaldehyde

5-[3-(4-methanesulfonyl-phenyl)-3H-imidazol-4-yl]-pyridin-2-ol

3-(4-fluoro-3-trifluoromethyl-phenyl)-2-(6-oxo-1,6-dihydro-pyridin-3-yl)-2,3-dihydro-1H-quinazolin-4-one

Refernces

• 1、 -. "COT MODULATORS AND METHODS OF USE THEREOF". Page/Page column 109; 110. . Retrieved 2017/01/26.
• 2、 -. "INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS". Page/Page column 23. . Retrieved 2011/05/08.