Ethyl pyridazine-3-carboxylate

Base Information

• Chemical Name: Ethyl pyridazine-3-carboxylate
• CAS No.: 1126-10-9
• Molecular Formula: C₇H₈N₂O₂
• Molecular Weight: 152.153
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50560467
• Wikidata: Q82443860
• Mol file: 1126-10-9.mol

Synonyms:ethyl pyridazine-3-carboxylate;1126-10-9;PYRIDAZINE-3-CARBOXYLIC ACID ETHYL ESTER;3-Pyridazinecarboxylicacid, ethyl ester;ethyl-3-pyridazinecarboxylate;ethylpyridazine-3-carboxylate;SCHEMBL2930179;DTXSID50560467;LLLVOBWNRQYTKR-UHFFFAOYSA-N;MFCD09908167;AKOS006313046;pyridazine-6-carboxylic acid ethyl ester;BS-49410;CS-0160339;E76000

Chemical Property of Ethyl pyridazine-3-carboxylate

Chemical Property:

• PSA: 52.08000
• LogP: 0.65330
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: -0.1
• 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:

98%,99%, ^*data from raw suppliers

Ethylpyridazine-3-carboxylate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=NN=CC=C1

Technology Process of Ethyl pyridazine-3-carboxylate

There total 4 articles about Ethyl pyridazine-3-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: 55.0%

pyridazine-3-carboxylic acid (2164-61-6) + ethanol (64-17-5) → ethyl 3-pyridazinecarboxylate (1126-10-9)

Guidance literature:

With hydrogenchloride; Reflux;

Reference yield:

Pyridazine-3-carboximidic acid ethyl ester → ethyl 3-pyridazinecarboxylate (1126-10-9)

Guidance literature:

With hydrogenchloride; at 0 - 5 ℃; for 5h; Yield given;

Reference yield:

pyridazine-3-carbonitrile (53896-49-4) → ethyl 3-pyridazinecarboxylate (1126-10-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 2N NaOH / 3 h

2: 2N HCl / 5 h / 0 - 5 °C

With hydrogenchloride; sodium hydroxide;

upstream raw materials:

pyridazine-3-carbonitrile

pyridazine-3-carboxylic acid

ethanol

Downstream raw materials:

Pyridazine-3-carboxyamide

pyridazine-3-carbohydrazide

3-hydroxymethylpyridazine

3-pyridazinylmethyl chloride