4,5-Pyridazinedicarboxylic acid, diethyl ester

Base Information

• Chemical Name: 4,5-Pyridazinedicarboxylic acid, diethyl ester
• CAS No.: 21050-73-7
• Molecular Formula: C10H12N2O4
• Molecular Weight: 224.21300
• DSSTox Substance ID: DTXSID10447285
• Nikkaji Number: J2.788.623J
• Wikidata: Q82266138
• Mol file: 21050-73-7.mol

Synonyms:Diethyl Pyridazine-4,5-dicarboxylate;21050-73-7;4,5-Pyridazinedicarboxylic acid, diethyl ester;SCHEMBL17146906;DTXSID10447285;Pyridazine-4,5-dicarboxylic acid diethyl ester

Chemical Property of 4,5-Pyridazinedicarboxylic acid, diethyl ester

Chemical Property:

• PSA: 78.38000
• LogP: 0.83000
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 224.07970687
• Heavy Atom Count: 16
• Complexity: 231

Purity/Quality:

4,5-Pyridazinedicarboxylicacid4,5-diethylester 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CN=NC=C1C(=O)OCC

Technology Process of 4,5-Pyridazinedicarboxylic acid, diethyl ester

There total 4 articles about 4,5-Pyridazinedicarboxylic acid, diethyl 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: 65.0%

1,2-diazine (289-80-5) + 2-oxo-propionic acid ethyl ester (617-35-6) → ethyl pyridazine-4-carboxylate (39123-39-2) + triethyl 3,4,5-pyridazinetricarboxylate (98832-77-0) + diethyl pyridazine-4,5-dicarboxylate (21050-73-7)

Guidance literature:

With sulfuric acid; dihydrogen peroxide; Yield given. Multistep reaction; 1.) -10 - 0 deg C (adding), then 15 min, 2.) CH₂Cl₂, H₂O, -5 - 0 deg C (adding), then 15 min;

DOI:10.1016/S0040-4020(01)96521-4

Reference yield: 22.0%

1,2-diazine (289-80-5) + 2-oxo-propionic acid ethyl ester (617-35-6) → diethyl pyridazine-4,5-dicarboxylate (21050-73-7)

Guidance literature:

2-oxo-propionic acid ethyl ester; With dihydrogen peroxide; In water; at -10 ℃;

1,2-diazine; With ferrous(II) sulfate heptahydrate; sulfuric acid; In dichloromethane; water; at -5 ℃;

DOI:10.1016/j.tet.2009.09.105

Reference yield: 2.0%

1,2-diazine (289-80-5) + 2-oxo-propionic acid ethyl ester (617-35-6) → ethyl pyridazine-4-carboxylate (39123-39-2) + triethyl 3,4,5-pyridazinetricarboxylate (98832-77-0) + tetraethyl 3,4,5-pyridazinetetracarboxylate (98832-78-1) + diethyl pyridazine-4,5-dicarboxylate (21050-73-7)

Guidance literature:

With sulfuric acid; dihydrogen peroxide; iron(II) sulfate; In water; at -5 - 0 ℃; Product distribution; investigation of the influence of various reaction conditions;

DOI:10.1016/S0040-4020(01)96521-4

upstream raw materials:

1,2-diazine

2-oxo-propionic acid ethyl ester

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