4-Ethyl-2,6-dihydroxynicotinonitrile

Base Information

• Chemical Name: 4-Ethyl-2,6-dihydroxynicotinonitrile
• CAS No.: 23328-64-5
• Molecular Formula: C₈H₈N₂O₂
• Molecular Weight: 164.164
• Hs Code.: 2933399090
• ChEMBL ID: CHEMBL3086511
• DSSTox Substance ID: DTXSID80593369
• Wikidata: Q82487843
• Mol file: 23328-64-5.mol

Synonyms:4-Ethyl-2,6-dihydroxynicotinonitrile;23328-64-5;4-ethyl-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile;SCHEMBL4650747;CHEMBL3086511;SCHEMBL16561953;DTXSID80593369;DB-340259;E89188;4-Ethyl-2-hydroxy-6-oxo-1,6-dihydropyridine-3-carbonitrile

Chemical Property of 4-Ethyl-2,6-dihydroxynicotinonitrile

Chemical Property:

• PSA: 77.14000
• LogP: 0.92688
• Storage Temp.: 2-8°C
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 164.058577502
• Heavy Atom Count: 12
• Complexity: 330

Purity/Quality:

95+% ^*data from raw suppliers

4-Ethyl-2,6-dihydroxynicotinonitrile 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC(=O)NC(=C1C#N)O

Technology Process of 4-Ethyl-2,6-dihydroxynicotinonitrile

There total 2 articles about 4-Ethyl-2,6-dihydroxynicotinonitrile 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: 41.0%

cyanoacetic acid amide (107-91-5) + ethyl propanoylacetate (4949-44-4) → 4-ethyl-6-hydroxy-1H-pyridin-2-one-3-carbonitrile (23328-64-5)

Guidance literature:

With potassium hydroxide; In methanol; at 65 ℃; for 2h;

DOI:10.1021/jm401389u

Reference yield:

cyanoacetic acid amide (107-91-5) + ethyl propanoylacetate (4949-44-4) → 4-ethyl-2,6-dihydroxy-nicotinonitrile (23328-64-5)

Guidance literature:

With piperidine; methanol;

upstream raw materials:

cyanoacetic acid amide

ethyl propanoylacetate

Refernces