Ethyl 2,6-dimethoxypyridine-3-carboxylate

Base Information

• Chemical Name: Ethyl 2,6-dimethoxypyridine-3-carboxylate
• CAS No.: 562840-46-4
• Molecular Formula: C10H13NO4
• Molecular Weight: 211.21500
• DSSTox Substance ID: DTXSID70697507
• Wikidata: Q82627425
• Mol file: 562840-46-4.mol

Synonyms:ETHYL 2,6-DIMETHOXYPYRIDINE-3-CARBOXYLATE;562840-46-4;Ethyl 2,6-dimethoxynicotinate;2,6-dimethoxynicotinic acid ethyl ester;SCHEMBL6409775;DTXSID70697507;HUJKOQKBQIUEHH-UHFFFAOYSA-N;MFCD11616888;AKOS027425829;CS-0195638;E90535

Chemical Property of Ethyl 2,6-dimethoxypyridine-3-carboxylate

Chemical Property:

• Boiling Point: 288.8±35.0 °C(Predicted)
• PKA: -0.37±0.10(Predicted)
• PSA: 57.65000
• Density: 1.141±0.06 g/cm3(Predicted)
• LogP: 1.27550
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 211.08445790
• Heavy Atom Count: 15
• Complexity: 210

Purity/Quality:

99% ^*data from raw suppliers

Ethyl2,6-dimethoxypyridine-3-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(N=C(C=C1)OC)OC

Technology Process of Ethyl 2,6-dimethoxypyridine-3-carboxylate

There total 2 articles about Ethyl 2,6-dimethoxypyridine-3-carboxylate 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:

methyl 2,6-dimethoxypyridine-3-carboxylate (65515-26-6) + ethyl acetate (141-78-6) → 2,6-dimethoxynicotinic acid ethyl ester (562840-46-4)

Guidance literature:

With lithium hexamethyldisilazane; In tetrahydrofuran; at -40 ℃; for 0.333333h; Inert atmosphere;

DOI:10.1016/j.bmcl.2012.04.008

Reference yield:

ethanol (64-17-5) + 2,6-dimethoxynicotinic acid (16727-43-8) → 2,6-dimethoxynicotinic acid ethyl ester (562840-46-4)

Guidance literature:

With sulfuric acid; for 48h; Heating / reflux;

Reference yield:

2,6-dimethoxynicotinic acid ethyl ester (562840-46-4) → (2,6-dimethoxypyridin-3-yl)methanol (562840-47-5)

Guidance literature:

2,6-dimethoxynicotinic acid ethyl ester; With sodium bis(2-methoxyethoxy)aluminium dihydride; In toluene; at 0 ℃; for 1h;

In toluene; at 20 ℃; for 7h;

upstream raw materials:

ethanol

2,6-dimethoxynicotinic acid

methyl 2,6-dimethoxypyridine-3-carboxylate

ethyl acetate

Downstream raw materials:

(2,6-dimethoxypyridin-3-yl)methanol

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