Ethyl 2,6-dimethylisonicotinate

Base Information

• Chemical Name: Ethyl 2,6-dimethylisonicotinate
• CAS No.: 39965-80-5
• Molecular Formula: C₁₀H₁₃NO₂
• Molecular Weight: 179.219
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID90482098
• Wikidata: Q82318025
• Mol file: 39965-80-5.mol

Synonyms:ETHYL 2,6-DIMETHYLISONICOTINATE;39965-80-5;ethyl 2,6-dimethylpyridine-4-carboxylate;2,6-Dimethylpyridine-4-carboxylic acid ethyl ester;SCHEMBL18773577;DTXSID90482098;ETHYL2,6-DIMETHYLISONICOTINATE;SB52879;FT-0734556;2,6-dimethylpyridine-4-carboxylic acid ethylester

Chemical Property of Ethyl 2,6-dimethylisonicotinate

Chemical Property:

• PSA: 39.19000
• LogP: 1.87510
• Storage Temp.: 2-8°C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 179.094628657
• Heavy Atom Count: 13
• Complexity: 172

Purity/Quality:

97% ^*data from raw suppliers

Ethyl2,6-dimethylisonicotinate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C1=CC(=NC(=C1)C)C

Technology Process of Ethyl 2,6-dimethylisonicotinate

There total 4 articles about Ethyl 2,6-dimethylisonicotinate 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:

ethanol (64-17-5) + 2,6-dimethylisonicotinic acid (54221-93-1) → 4-Ethoxacarbonyl-2,6-dimethyl-pyridin (39965-80-5)

Guidance literature:

With sulfuric acid;

DOI:10.1021/ja01512a050

Reference yield:

3-amino-2,6-dimethyl-isonicotinic acid (4328-88-5) → 4-Ethoxacarbonyl-2,6-dimethyl-pyridin (39965-80-5)

Guidance literature:

With hydrogenchloride; zinc; sodium nitrite; Diazotization_.Reagens 4: Aethanol; weitere Angaben: Erwaermen des Reaktionsprodukts mit Aethanol und H₂SO₄;

DOI:10.1002/hlca.19550380425

Reference yield:

→ 4-Ethoxacarbonyl-2,6-dimethyl-pyridin (39965-80-5)

Guidance literature:

With hydrogenchloride;

upstream raw materials:

ethanol

2,6-dimethylisonicotinic acid

3-amino-2,6-dimethyl-isonicotinic acid