3,6-Pyridazinedicarboxylic acid

Base Information

• Chemical Name: 3,6-Pyridazinedicarboxylic acid
• CAS No.: 57266-70-3
• Molecular Formula: C6H4N2O4
• Molecular Weight: 168.109
• Hs Code.: 2933990090
• NSC Number: 174675
• DSSTox Substance ID: DTXSID30306224
• Nikkaji Number: J1.123.736C
• Wikidata: Q72503733
• Mol file: 57266-70-3.mol

Synonyms:pyridazine-3,6-dicarboxylic acid;3,6-Pyridazinedicarboxylic acid;57266-70-3;3,6-Pyridazinedicarboxylicacid;SCHEMBL698657;pyridazine-3,6-dicarboxylicacid;AML0011;DTXSID30306224;BBL103316;MFCD01318693;NSC174675;STL557126;AKOS006344952;NSC-174675;PB33942;AC-23082;AS-33483;CS-0048735;FT-0684748

Chemical Property of 3,6-Pyridazinedicarboxylic acid

Chemical Property:

• Vapor Pressure: 2.31E-13mmHg at 25°C
• Refractive Index: 1.638
• Boiling Point: 559.7 °C at 760 mmHg
• PKA: 2.20±0.10(Predicted)
• Flash Point: 292.3 °C
• PSA: 100.38000
• Density: 1.665 g/cm³
• LogP: -0.12700
• Storage Temp.: 2-8°C
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 168.01710661
• Heavy Atom Count: 12
• Complexity: 184

Purity/Quality:

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

3,6-Pyridazinedicarboxylic acid ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=NN=C1C(=O)O)C(=O)O

Technology Process of 3,6-Pyridazinedicarboxylic acid

There total 4 articles about 3,6-Pyridazinedicarboxylic 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: 75.0%

sodium pyridazine-3,6-dicarboxylate (113631-49-5) → pyridazine-3,6-dicarboxylic acid (57266-70-3)

Guidance literature:

With Amberlite IRN 77; In water; for 0.5h;

Reference yield:

3,6-dimethylpyridazine (1632-74-2) → pyridazine-3,6-dicarboxylic acid (57266-70-3)

Guidance literature:

With pyridine; selenium(IV) oxide; at 120 ℃; for 16h; Inert atmosphere;

Reference yield:

2,5-hexanedione (110-13-4) → pyridazine-3,6-dicarboxylic acid (57266-70-3)

Guidance literature:

Multi-step reaction with 2 steps

1.1: hydrazine hydrate / ethanol / 10 h / 90 °C / Inert atmosphere

1.2: 10 h / 100 °C / Inert atmosphere

2.1: selenium(IV) oxide; pyridine / 16 h / 120 °C / Inert atmosphere

With pyridine; selenium(IV) oxide; hydrazine hydrate; In ethanol;

upstream raw materials:

sodium pyridazine-3,6-dicarboxylate

3,6-dimethylpyridazine

2,5-hexanedione

Downstream raw materials:

pyridazine-3,6-dicarbonyl dichloride

Pyridazine-3,6-dicarboxylic acid bis-[((R)-1-chloromethyl-2-phenyl-ethyl)-amide]

Pyridazine-3,6-dicarboxylic acid bis-[((R)-1-hydroxymethyl-2-phenyl-ethyl)-amide]

3,6-dibenzoylpyridazine

Refernces

• 1、 Sueur, Stephane,Lagrenee, Michel,Abraham, Francis,Bremard, Claude. "New Syntheses of Polyaza Derivatives. Crystal Structure of Pyridazine-3,6-dicarboxylic Acid". . p. 1285 - 1289. Retrieved 2007/10/02.