3-Pyridinecarboxylic acid, 2-ethoxy-, methyl ester

Base Information

• Chemical Name: 3-Pyridinecarboxylic acid, 2-ethoxy-, methyl ester
• CAS No.: 74357-21-4
• Molecular Formula: C9H11NO3
• Molecular Weight: 181.18900
• DSSTox Substance ID: DTXSID20465031
• Nikkaji Number: J1.735.184B
• Wikidata: Q82290678
• Mol file: 74357-21-4.mol

Synonyms:Methyl 2-ethoxypyridine-3-carboxylate;74357-21-4;Methyl 2-ethoxynicotinate;3-Pyridinecarboxylic acid, 2-ethoxy-, methyl ester;DTXSID20465031;MFCD20527397;AKOS027422315;CS-0195648;E91987

Chemical Property of 3-Pyridinecarboxylic acid, 2-ethoxy-, methyl ester

Chemical Property:

• PSA: 48.42000
• LogP: 1.26690
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 181.07389321
• Heavy Atom Count: 13
• Complexity: 172

Purity/Quality:

99% ^*data from raw suppliers

Methyl2-ethoxypyridine-3-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=C(C=CC=N1)C(=O)OC

Technology Process of 3-Pyridinecarboxylic acid, 2-ethoxy-, methyl ester

There total 2 articles about 3-Pyridinecarboxylic acid, 2-ethoxy-, methyl ester 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: 2.0%

methyl 3-pyridinecarboxylate (93-60-7) + ethanol (64-17-5) → methyl-6-ethoxynicotinate (74357-22-5) + methyl 6-ethylnicotinate (74357-20-3) + methyl 2-ethoxynicotinate (74357-21-4)

Guidance literature:

With sulfuric acid; Irradiation;

DOI:10.1246/cl.1980.131

Reference yield:

methanol (67-56-1) + 2-chloronicotinic acid (2942-59-8) + sodium ethanolate (141-52-6) → methyl 2-ethoxynicotinate (74357-21-4)

Guidance literature:

2-chloronicotinic acid; sodium ethanolate;

methanol; With sulfuric acid; Further stages.;

DOI:10.1021/jo016315u

Reference yield:

methyl 2-ethoxynicotinate (74357-21-4) → 5,11-diethoxy-4,10-diazapentacyclo[6.4.0.02,7.03,12.06,9]dodeca-4,10-diene-6,12-dicarboxylic acid dimethyl ester

Guidance literature:

In benzene; for 2h; Irradiation;

DOI:10.1021/jo016315u

upstream raw materials:

methyl 3-pyridinecarboxylate

ethanol

methanol

2-chloronicotinic acid

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