Ethyl 2-methylisonicotinate

Base Information

• Chemical Name: Ethyl 2-methylisonicotinate
• CAS No.: 25635-17-0
• Molecular Formula: C9H11NO2
• Molecular Weight: 165.192
• Hs Code.: 2933399090
• European Community (EC) Number: 696-225-2
• DSSTox Substance ID: DTXSID10482095
• Wikidata: Q82318021
• Mol file: 25635-17-0.mol

Synonyms:Ethyl 2-methylisonicotinate;25635-17-0;ethyl 2-methylpyridine-4-carboxylate;2 -METHYLISONICOTINIC ACID ETHYL ESTER;MFCD09746244;2-Methylpyridine-4-carboxylic acid ethyl ester;Ethyl2-methylisonicotinate;SCHEMBL363249;DTXSID10482095;WOMYMRWGDVTGQI-UHFFFAOYSA-N;2-methyl-isonicotinic acid ethyl ester;AKOS006280566;EG-0710;SY035991;CS-0061579;FT-0739838;A925085

Chemical Property of Ethyl 2-methylisonicotinate

Chemical Property:

• Boiling Point: 102-103 °C(Press: 4 Torr)
• PKA: 3.92±0.10(Predicted)
• PSA: 39.19000
• Density: 1.4985 g/cm3
• LogP: 1.56670
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 165.078978594
• Heavy Atom Count: 12
• Complexity: 159

Purity/Quality:

99%, ^*data from raw suppliers

Ethyl 2-methylpyridine-4-carboxylate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 2-methylisonicotinate

There total 3 articles about Ethyl 2-methylisonicotinate 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: 93.4%

2-methylisonicotinic acid (4021-11-8) + ethanol (64-17-5) → ethyl 2-methylpyridine-4-carboxylate (25635-17-0)

Guidance literature:

With sulfuric acid; at 90 ℃; for 16h;

Reference yield:

2,4-lutidine (108-47-4) → ethyl 2-methylpyridine-4-carboxylate (25635-17-0)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous KMnO₄

2: concentrated H₂SO₄

With potassium permanganate; sulfuric acid;

Reference yield:

→ ethyl 2-methylpyridine-4-carboxylate (25635-17-0)

Guidance literature:

2-Methylisonicotinic acid, 1) SOCl2, 2) EtOH;

upstream raw materials:

2-methylisonicotinic acid

ethanol

2,4-lutidine

Downstream raw materials:

2-methylisonicotinohydrazide

C₂₂H₁₆NO₂⁽¹⁺⁾*Br^(1-)

1-(2-ethoxy-2-oxoethyl)-4-(ethoxycarbonyl)-2-methylpyridinium bromide

3-(2-Methyl-pyridin-4-yl)-3-oxo-2-phenyl-propionitrile

Refernces

• 1、 -. "2 - Methyl pyridine -4 - formic acid pyridine ring reduced to piperidine (by machine translation)". Paragraph 0020; 0022-0025. . Retrieved 2019/01/05.