Diethyl Pyridine-2,3-dicarboxylate

Base Information

• Chemical Name: Diethyl Pyridine-2,3-dicarboxylate
• CAS No.: 2050-22-8
• Molecular Formula: C11H13NO4
• Molecular Weight: 223.229
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID70447281
• Nikkaji Number: J135.609G
• Wikidata: Q72462167
• Mol file: 2050-22-8.mol

Synonyms:Diethyl Pyridine-2,3-dicarboxylate;2050-22-8;diethyl 2,3-pyridinedicarboxylate;2,3-diethyl pyridine-2,3-dicarboxylate;2,3-Pyridinedicarboxylic acid, diethyl ester;Diethyl 2,3-quinolinate;2,3-pyridinedicarboxylic acid diethyl ester;pyridine-2,3-dicarboxylic acid diethyl ester;2,3-Pyridinedicarboxylic acid, 2,3-diethyl ester;SCHEMBL1737254;DTXSID70447281;AMY32639;MFCD08689697;AKOS005072790;CS-W006908;FA-0620;FT-0652928;I11549;A814611;J-520305

Chemical Property of Diethyl Pyridine-2,3-dicarboxylate

Chemical Property:

• Vapor Pressure: 0.00149mmHg at 25°C
• Refractive Index: 1.508
• Boiling Point: 295.8 °C at 760 mmHg
• PKA: -0.55±0.10(Predicted)
• Flash Point: 132.7 °C
• PSA: 65.49000
• Density: 1.165 g/cm³
• LogP: 1.43500
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 223.08445790
• Heavy Atom Count: 16
• Complexity: 254

Purity/Quality:

97% ^*data from raw suppliers

DiethylPyridine-2,3-dicarboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(N=CC=C1)C(=O)OCC
• Uses: Diethyl Pyridine-2,3-dicarboxylate is a useful reagent in preparation of herbicides.

Technology Process of Diethyl Pyridine-2,3-dicarboxylate

There total 13 articles about Diethyl Pyridine-2,3-dicarboxylate 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: 91.8%

Pyridine-2,3-dicarboxylic acid (89-00-9) + ethanol (64-17-5) → 2,3-diethyl pyridinedicarboxylate (2050-22-8)

Guidance literature:

With toluene-4-sulfonic acid; at 100 ℃; for 120h;

DOI:10.1002/cplu.202000175

Reference yield: 85.0%

2,3-dichloro-pyridine (2402-77-9) + ethanol (64-17-5) + carbon monoxide (201230-82-2) → 2,3-diethyl pyridinedicarboxylate (2050-22-8)

Guidance literature:

With 1,1'-bis-(diphenylphosphino)ferrocene; sodium acetate; palladium diacetate; at 160 ℃; for 3h; under 11250.9 Torr;

DOI:10.3987/COM-99-8622

Reference yield: 82.0%

acetylenedicarboxylic acid diethyl ester (762-21-0) + Propargylamine (2450-71-7) → 2,3-diethyl pyridinedicarboxylate (2050-22-8)

Guidance literature:

With dihydrogen peroxide; In ethanol; at 65 ℃; for 12h; Temperature;

upstream raw materials:

Pyridine-2,3-dicarboxylic acid

ethanol

2,3-dichloro-pyridine

carbon monoxide

Downstream raw materials:

pyridine-2,3-dicarbaldehyde

2-formyl-3-pyridinecarboxylic acid ethyl ester

7H-furo[3,4-b]pyridin-5-one

Pyridine-2,3-dicarboxylic acid