Ethyl Pyridazine-4-carboxylate

Base Information

• Chemical Name: Ethyl Pyridazine-4-carboxylate
• CAS No.: 39123-39-2
• Molecular Formula: C7H8N2O2
• Molecular Weight: 152.153
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID20445954
• Nikkaji Number: J660.875B
• Wikidata: Q82264506
• Mol file: 39123-39-2.mol

Synonyms:Ethyl Pyridazine-4-carboxylate;39123-39-2;ethyl 4-pyridazinecarboxylate;4-Pyridazinecarboxylic acid, ethyl ester;MFCD09833000;Pyridazine-4-carboxylic acid ethyl ester;4-ethoxycarbonylpyridazine;SCHEMBL501752;DTXSID20445954;FVBGGKYTKXFLOV-UHFFFAOYSA-N;AKOS016007399;4-pyridazinecarboxylic acid ethyl ester;AS-31829;SY015372;CS-0452013;A824415;J-521060

Chemical Property of Ethyl Pyridazine-4-carboxylate

Chemical Property:

• Boiling Point: 290.915 °C at 760 mmHg
• Flash Point: 129.741 °C
• PSA: 52.08000
• Density: 1.168 g/cm³
• LogP: 0.65330
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 152.058577502
• Heavy Atom Count: 11
• Complexity: 138

Purity/Quality:

≥95% ^*data from raw suppliers

EthylPyridazine-4-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl Pyridazine-4-carboxylate

There total 4 articles about Ethyl Pyridazine-4-carboxylate 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: 79.0%

pyridazine-4-carboxylic acid (50681-25-9) + ethanol (64-17-5) → ethyl pyridazine-4-carboxylate (39123-39-2)

Guidance literature:

With sulfuric acid; for 5h; Heating / reflux;

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: 6.0%

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)

Guidance literature:

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

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

upstream raw materials:

1,2-diazine

2-oxo-propionic acid ethyl ester

pyridazine-4-carboxylic acid

ethanol

Downstream raw materials:

pyridazine-4-carboxamide

ethyl 5-methyl-4-pyridazinecarboxylate

Methyl 4-pyridazinyl ketone

5-(2,6-Dichloro-benzoyl)-pyridazine-4-carboxylic acid ethyl ester

Refernces

• 1、 -. "MGluR5 modulators I". Page/Page column 26. . Retrieved 2008/06/13.