Diethyl pyridine-3,4-dicarboxylate

Base Information

• Chemical Name: Diethyl pyridine-3,4-dicarboxylate
• CAS No.: 1678-52-0
• Molecular Formula: C11H13NO4
• Molecular Weight: 223.229
• Hs Code.: 29333999
• European Community (EC) Number: 624-909-2
• DSSTox Substance ID: DTXSID20350251
• Nikkaji Number: J309.009D
• Wikidata: Q72462169
• Mol file: 1678-52-0.mol

Synonyms:diethyl pyridine-3,4-dicarboxylate;1678-52-0;Diethyl 3,4-pyridinedicarboxylate;Cinchomeronic ester;Diethyl 3 4-Pyridinedicarboxylate;3,4-Pyridinedicarboxylic acid, diethyl ester;Pyridine-3,4-dicarboxylic acid diethyl ester;3,4-Pyridinedicarboxylic acid, 3,4-diethyl ester;Diethylpyridine-3,4-dicarboxylate;MFCD00012349;3,4-DIETHYL PYRIDINE-3,4-DICARBOXYLATE;SCHEMBL3515887;DTXSID20350251;BAA67852;AKOS015892324;Diethyl 3,4-pyridinedicarboxylate, 97%;AS-67775;CS-0061580;?DIETHYL 3 4-PYRIDINEDICARBOXYLATE 97;DIETHYL 3 4-PYRIDINEDICARBOXYLATE 97;W17001;J-010400

Chemical Property of Diethyl pyridine-3,4-dicarboxylate

Chemical Property:

• Vapor Pressure: 0.00166mmHg at 25°C
• Refractive Index: 1.496
• Boiling Point: 294.1 °C at 760 mmHg
• PKA: 1.26±0.18(Predicted)
• Flash Point: 123.4 °C
• PSA: 65.49000
• Density: 1.165 g/cm³
• LogP: 1.43500
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 1.3
• 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:

99% ^*data from raw suppliers

Diethyl 3,4-pyridinedicarboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(C=NC=C1)C(=O)OCC
• Uses: Diethyl 3,4-pyridinedicarboxylate is a disperse dye. Dyes and metabolites.

Technology Process of Diethyl pyridine-3,4-dicarboxylate

There total 4 articles about Diethyl pyridine-3,4-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: 67.0%

3,4-pyridinecarboxylic acid (490-11-9) + ethanol (64-17-5) → diethyl pyridine-3,4-dicarboxylate (1678-52-0)

Guidance literature:

With sulfuric acid; for 48h; Reflux; Inert atmosphere;

DOI:10.1021/ic501178f

Reference yield:

→ diethyl pyridine-3,4-dicarboxylate (1678-52-0)

Guidance literature:

at 150 - 160 ℃;

Reference yield:

ethanol (64-17-5) → diethyl pyridine-3,4-dicarboxylate (1678-52-0)

Guidance literature:

With hydrogenchloride;

upstream raw materials:

3,4-pyridinecarboxylic acid

ethanol

Downstream raw materials:

3,4-bis(chloromethyl)pyridine

2-(4-nitrophenyl)sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridine

O-ethyl-N,N'-diphenyl-isourea

ethyl 3(4)-<(NN'-diphenylamidino)carbamoyl>pyridine-4(3)-carboxylate

Refernces