6-Oxo-1,6-dihydropyridazine-3-carbonyl chloride

Base Information

• Chemical Name: 6-Oxo-1,6-dihydropyridazine-3-carbonyl chloride
• CAS No.: 57658-96-5
• Molecular Formula: C5H3ClN2O2
• Molecular Weight: 158.544
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID00587447
• Wikidata: Q82479875
• Mol file: 57658-96-5.mol

Synonyms:57658-96-5;6-Oxo-1,6-dihydropyridazine-3-carbonyl chloride;6-hydroxypyridazine-3-carbonyl chloride;6-OXO-1H-PYRIDAZINE-3-CARBONYL CHLORIDE;SCHEMBL11330719;DTXSID00587447;6-hydroxypyridazine-3-carbonylchloride;DB-102985;3-Pyridazinecarbonyl chloride,1,6-dihydro-6-oxo-(9ci)

Chemical Property of 6-Oxo-1,6-dihydropyridazine-3-carbonyl chloride

Chemical Property:

• PKA: 10.15±0.40(Predicted)
• PSA: 63.08000
• Density: 1.62±0.1 g/cm3(Predicted)
• LogP: 0.56120
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 157.9883050
• Heavy Atom Count: 10
• Complexity: 244

Purity/Quality:

99%min ^*data from raw suppliers

6-Hydroxypyridazine-3-carbonylchloride 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 6-Oxo-1,6-dihydropyridazine-3-carbonyl chloride

There total 2 articles about 6-Oxo-1,6-dihydropyridazine-3-carbonyl chloride 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:

6-oxo-1,6-dihydropyridazine-3-carboxylic acid (37972-69-3) → 1,6-dihydro-6-oxo-3-pyridazinecarboxylic acid chloride (57658-96-5)

Guidance literature:

With oxalyl dichloride; N,N-dimethyl-formamide; In 1,2-dichloro-ethane; at 0 - 20 ℃; Inert atmosphere;

Reference yield:

6-oxo-1,6-dihydropyridazine-3-carboxylic acid (37972-69-3) → 6-hydroxypyridazine-3-carbonyl chloride (57658-96-5)

Guidance literature:

With thionyl chloride; N,N-dimethyl-formamide; In chloroform; for 12h; Heating;

DOI:10.1021/jm070219p

Reference yield: 85.0%

6-hydroxypyridazine-3-carbonyl chloride (57658-96-5) + N-hydroxy-2-phenylethanimidamide (19227-11-3) → 6-(3-benzyl-1,2,4-oxadiazol-5-yl)pyridazin-3-ol (944808-71-3)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In acetonitrile; at 150 ℃; for 0.333333h; microwave irradiation;

DOI:10.1021/jm070219p

upstream raw materials:

6-oxo-1,6-dihydropyridazine-3-carboxylic acid

Downstream raw materials:

6-(3-benzyl-1,2,4-oxadiazol-5-yl)pyridazin-3-ol

3-(3-benzyl-1,2,4-oxadiazol-5-yl)-6-chloropyridazine

Refernces

• 1、 -. "Substituted imidazopyrimidine, imidazopyrazine and imidazopyridazine derivatives as melanocortin-4 receptor modulators". Page/Page column 31. . Retrieved 2009/10/01.