pyrido[4,3-c]pyridazin-5(6H)-one

Base Information

• Chemical Name: pyrido[4,3-c]pyridazin-5(6H)-one
• CAS No.: 136411-57-9
• Molecular Formula: C7H5N3O
• Molecular Weight: 147.13
• DSSTox Substance ID: DTXSID60415919
• Nikkaji Number: J417.326K
• Wikidata: Q82224998
• Mol file: 136411-57-9.mol

Synonyms:pyrido[4,3-c]pyridazin-5(6H)-one;136411-57-9;6H-pyrido[4,3-c]pyridazin-5-one;Pyrido[4,3-c]pyridazin-5(6H)-one (9CI);DTXSID60415919;AKOS006387592;F52254;InChI=1/C7H5N3O/c11-7-5-1-4-9-10-6(5)2-3-8-7/h1-4H,(H,8,11

Chemical Property of pyrido[4,3-c]pyridazin-5(6H)-one

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.611
• Boiling Point: 547.035 °C at 760 mmHg
• Flash Point: 284.636 °C
• PSA: 58.90000
• Density: 1.356 g/cm³
• LogP: 0.73040
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 147.043261791
• Heavy Atom Count: 11
• Complexity: 202

Purity/Quality:

99% ^*data from raw suppliers

Pyrido[4,3-c]pyridazin-5(6H)-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CNC(=O)C2=C1N=NC=C2

Technology Process of pyrido[4,3-c]pyridazin-5(6H)-one

There total 3 articles about pyrido[4,3-c]pyridazin-5(6H)-one 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: 83.0%

ethyl 3-(2-dimethylaminoethenyl)methylpyridazine-4-carboxylic acid (136411-56-8) → pyrido<4,3-c>pyridazin-5(6H)-one (136411-57-9)

Guidance literature:

With ammonium acetate; In ethanol; for 48h; Heating;

Reference yield:

ethyl 3-methylpyridazine-4-carboxylic acid (98832-80-5) → pyrido<4,3-c>pyridazin-5(6H)-one (136411-57-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 71 percent / dimethylformamide / 9 h / 110 °C

2: 83 percent / NH₄OAc / ethanol / 48 h / Heating

With ammonium acetate; In ethanol; N,N-dimethyl-formamide;

Reference yield:

6-ethoxy-4-ethoxycarbonyl-1-methoxycarbonyl-3-methyl-1,4,5,6-tetrahydropyridazine (136411-55-7) → pyrido<4,3-c>pyridazin-5(6H)-one (136411-57-9)

Guidance literature:

Multi-step reaction with 3 steps

1: 71 percent / HOAc, Br₂ / 24 h / 17 °C

2: 71 percent / dimethylformamide / 9 h / 110 °C

3: 83 percent / NH₄OAc / ethanol / 48 h / Heating

With ammonium acetate; bromine; acetic acid; In ethanol; N,N-dimethyl-formamide;

upstream raw materials:

ethyl 3-(2-dimethylaminoethenyl)methylpyridazine-4-carboxylic acid

ethyl 3-methylpyridazine-4-carboxylic acid

6-ethoxy-4-ethoxycarbonyl-1-methoxycarbonyl-3-methyl-1,4,5,6-tetrahydropyridazine

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