2-Ethoxyisonicotinonitrile

Base Information

• Chemical Name: 2-Ethoxyisonicotinonitrile
• CAS No.: 869299-29-6
• Molecular Formula: C₈H₈N₂O
• Molecular Weight: 148.164
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID80596577
• Wikidata: Q82491872
• Mol file: 869299-29-6.mol

Synonyms:2-Ethoxyisonicotinonitrile;869299-29-6;2-ethoxypyridine-4-carbonitrile;4-CYANO-2-ETHOXYPYRIDINE;SCHEMBL4930416;DTXSID80596577;UDXZRNGEMFVRSG-UHFFFAOYSA-N;2-(Ethyloxy)-4-pyridinecarbonitrile;AKOS000196347;TS-01945;DB-082186

Chemical Property of 2-Ethoxyisonicotinonitrile

Chemical Property:

• PSA: 45.91000
• LogP: 1.35198
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 148.063662883
• Heavy Atom Count: 11
• Complexity: 161

Purity/Quality:

97% ^*data from raw suppliers

2-Ethoxyisonicotinonitrile 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=NC=CC(=C1)C#N

Technology Process of 2-Ethoxyisonicotinonitrile

There total 3 articles about 2-Ethoxyisonicotinonitrile 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: 92.0%

→ 2-ethoxyisonicotinonitrile (869299-29-6)

Guidance literature:

With sodium hydride; In tetrahydrofuran; mineral oil; at 50 ℃; for 0.5h;

In tetrahydrofuran; mineral oil; at 10 - 50 ℃; for 12.5h;

Reference yield: 65.0%

2-chloro-4-pyridinenitrile (33252-30-1) + sodium ethanolate (141-52-6) → 2-ethoxyisonicotinonitrile (869299-29-6)

Guidance literature:

In 1,4-dioxane; at 60 ℃; for 4h;

Reference yield: 39.0%

2-chloro-4-pyridinenitrile (33252-30-1) + potassium ethoxide (917-58-8) → 2-ethoxyisonicotinonitrile (869299-29-6)

Guidance literature:

In 1,4-dioxane; at 15 - 20 ℃; for 2h;

DOI:10.1021/jm8005096

upstream raw materials:

2-chloro-4-pyridinenitrile

potassium ethoxide

sodium ethanolate