6-Oxo-1,4,5,6-tetrahydropyridazine-3-carboxylic acid

Base Information

• Chemical Name: 6-Oxo-1,4,5,6-tetrahydropyridazine-3-carboxylic acid
• CAS No.: 27372-38-9
• Molecular Formula: C5H6N2O3
• Molecular Weight: 142.114
• Hs Code.: 2933990090
• European Community (EC) Number: 636-680-6
• NSC Number: 251543
• UNII: OT09ZTP07E
• DSSTox Substance ID: DTXSID60181809
• Nikkaji Number: J398.233E
• Wikidata: Q27285824
• Mol file: 27372-38-9.mol

Synonyms:1,4,5,6-tetrahydro-6-oxo-3-pyridazinecarboxylic acid

Chemical Property of 6-Oxo-1,4,5,6-tetrahydropyridazine-3-carboxylic acid

Chemical Property:

• Appearance/Colour: Solid
• Melting Point: 196-198 °C
• PKA: -2.06±0.20(Predicted)
• PSA: 78.76000
• Density: 1.65 g/cm³
• LogP: -0.89860
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 142.03784206
• Heavy Atom Count: 10
• Complexity: 209

Purity/Quality:

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

6-Oxo-1,4,5,6-tetrahydropyridazine-3-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)NN=C1C(=O)O

Technology Process of 6-Oxo-1,4,5,6-tetrahydropyridazine-3-carboxylic acid

There total 6 articles about 6-Oxo-1,4,5,6-tetrahydropyridazine-3-carboxylic 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: 99.0%

α-ketoglutaric acid (328-50-7) → 6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxylic acid (27372-38-9)

Guidance literature:

With carbazic acid; at 90 ℃; for 3h; Green chemistry;

DOI:10.1016/j.tetlet.2012.12.106

Reference yield: 99.0%

→ 6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxylic acid (27372-38-9)

Guidance literature:

With carbazic acid; In neat (no solvent); at 90 ℃; for 1.5h; Solvent; Temperature; Reagent/catalyst;

Reference yield:

α-ketoglutaric acid (328-50-7) → 3-Hydroxy-6-carboxy-4.5-dihydro-pyridazin (27372-38-9)

Guidance literature:

With hydrazine hydrate; In ethanol; for 3h;

upstream raw materials:

α-ketoglutaric acid

1-oxo-propane-1,2,3-tricarboxylic acid triethyl ester

Downstream raw materials:

6-chloro-pyridazine-3-carbonyl chloride

ethyl 1,6-dihydro-6-oxopyridazine-3-carboxylate

6-chloro-3-pyridazinecarboxylic acid ethyl ester

6-hydroxypyridazine-3-carboxylic acid methyl ester

Refernces

• 1、 -. "PYRROLIDINE DERIVATIVE". Paragraph 0454. . Retrieved 2019/04/16.
• 2、 Qian, Hai-Yan,Wang, Zhi-Long,Xie, Xiao-Yu,Pan, You-Lu,Li, Gang-Jian,Xie, Xin,Chen, Jian-Zhong. "Developing pyridazine-3-carboxamides to be CB2 agonists: The design, synthesis, structure-activity relationships and docking studies". . p. 598 - 611. Retrieved 2017/06/29.