1-(6-Methoxypyrazolo[1,5-B]pyridazin-3-YL)ethanone

Base Information

• Chemical Name: 1-(6-Methoxypyrazolo[1,5-B]pyridazin-3-YL)ethanone
• CAS No.: 551920-20-8
• Molecular Formula: C₉H₉N₃O₂
• Molecular Weight: 191.189
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID10458311
• Wikidata: Q82281521
• Mol file: 551920-20-8.mol

Synonyms:551920-20-8;1-(6-METHOXYPYRAZOLO[1,5-B]PYRIDAZIN-3-YL)ETHANONE;SCHEMBL4469746;DTXSID10458311;AKOS006286012;AB44351;FT-0724106;1-{6-methoxypyrazolo[1,5-b]pyridazin-3-yl}ethan-1-one

Chemical Property of 1-(6-Methoxypyrazolo[1,5-B]pyridazin-3-YL)ethanone

Chemical Property:

• PSA: 56.49000
• LogP: 0.94050
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 191.069476538
• Heavy Atom Count: 14
• Complexity: 234

Purity/Quality:

98%min ^*data from raw suppliers

1-(6-METHOXYPYRAZOLO[1,5-B]PYRIDAZIN-3-YL)ETHANONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=C2C=CC(=NN2N=C1)OC

Technology Process of 1-(6-Methoxypyrazolo[1,5-B]pyridazin-3-YL)ethanone

There total 3 articles about 1-(6-Methoxypyrazolo[1,5-B]pyridazin-3-YL)ethanone 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: 39.0%

methyl ethynyl ketone (1423-60-5) → 1-[6-(methoxy)pyrazolo[1,5-b]pyridazin-3-yl]ethanone (551920-20-8)

Guidance literature:

3-methoxypyridazine hydrochloride; With hydroxylamine-O-sulfonic acid; In water; at 70 ℃; for 1h; pH=8.0;

methyl ethynyl ketone; With potassium hydroxide; In dichloromethane; water; at 0 - 20 ℃; for 2h;

Reference yield:

3-methoxypyridazine (19064-65-4) + methyl ethynyl ketone (1423-60-5) → 1-[6-(methoxy)pyrazolo[1,5-b]pyridazin-3-yl]ethanone (551920-20-8)

Guidance literature:

3-methoxypyridazine; With potassium hydrogencarbonate; hydroxylamine-O-sulfonic acid; pH=8.0;

methyl ethynyl ketone; In dichloromethane; at 20 ℃;

DOI:10.1021/jm040063i

Reference yield:

methyl ethynyl ketone (1423-60-5) + 1-amino-3-methoxy-pyridazin-1-ium; iodide (35073-07-5) → 1-[6-(methoxy)pyrazolo[1,5-b]pyridazin-3-yl]ethanone (551920-20-8)

Guidance literature:

With potassium hydroxide; In dichloromethane; water;

DOI:10.1016/j.bmcl.2008.09.069

upstream raw materials:

3-methoxypyridazine

methyl ethynyl ketone

1-amino-3-methoxy-pyridazin-1-ium; iodide

Downstream raw materials:

1-(6-hydroxypyrazolo[1,5-b]pyridazin-3-yl)ethanone

[4-(6-methoxy-pyrazolo[1,5-b]pyridazin-3-yl)-pyrimidin-2-yl]-(3-trifluoromethyl-phenyl)-amine