Pyridazine-3,4-dicarboxylic acid

Base Information

• Chemical Name: Pyridazine-3,4-dicarboxylic acid
• CAS No.: 129116-97-8
• Molecular Formula: C6H4N2O4
• Molecular Weight: 168.109
• DSSTox Substance ID: DTXSID00562037
• Nikkaji Number: J314.586G
• Wikidata: Q82446013
• Mol file: 129116-97-8.mol

Synonyms:pyridazine-3,4-dicarboxylic acid;129116-97-8;3,4-Pyridazinedicarboxylicacid(9CI);3,4-PYRIDAZINEDICARBOXYLIC ACID;diazine dicarboxylic acid;SCHEMBL5769273;pyridazine-3,4-dicarboxylicacid;DTXSID00562037;AKOS026699862;AT17793;SB74902;EN300-152948;F8887-4666

Chemical Property of Pyridazine-3,4-dicarboxylic acid

Chemical Property:

• PSA: 100.38000
• LogP: -0.12700
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 168.01710661
• Heavy Atom Count: 12
• Complexity: 206

Purity/Quality:

97% ^*data from raw suppliers

pyridazine-3,4-dicarboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Pyridazine-3,4-dicarboxylic acid

There total 2 articles about Pyridazine-3,4-dicarboxylic acid 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: 68.0%

pyridazine-3,4-dicarboxylic acid diethyl ester (16082-13-6) → pyridazine-3,4-dicarboxylic acid (129116-97-8)

Guidance literature:

With sodium hydroxide; In water; at 23 - 33 ℃; for 0.25h;

Reference yield:

6-ethoxy-3,4-diethoxycarbonyl-1-methoxycarbonyl-1,4,5,6-tetrahydropyridazine (129116-95-6,129116-99-0) → pyridazine-3,4-dicarboxylic acid (129116-97-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 100 percent / bromine, acetic acid / 23 h / 23 °C

2: 68 percent / sodium hydroxide / H₂O / 0.25 h / 23 - 33 °C

With sodium hydroxide; bromine; acetic acid; In water;

Reference yield: 100.0%

pyridazine-3,4-dicarboxylic acid (129116-97-8) → pyridazine-4-carboxylic acid (50681-25-9)

Guidance literature:

In various solvent(s); at 170 ℃;

upstream raw materials:

pyridazine-3,4-dicarboxylic acid diethyl ester

6-ethoxy-3,4-diethoxycarbonyl-1-methoxycarbonyl-1,4,5,6-tetrahydropyridazine

Downstream raw materials:

pyridazine-4-carboxylic acid