3-(4-Methoxyphenyl)-6H-[2]benzopyrano[4,3-c]pyridazin-6-one

Base Information

• Chemical Name: 3-(4-Methoxyphenyl)-6H-[2]benzopyrano[4,3-c]pyridazin-6-one
• CAS No.: 96825-72-8
• Molecular Formula: C₁₈H₁₂N₂O₃
• Molecular Weight: 304.305
• DSSTox Substance ID: DTXSID50542960
• Wikidata: Q82419770
• Mol file: 96825-72-8.mol

Synonyms:96825-72-8;SCHEMBL10741132;DTXSID50542960;UTQBFBGFSZQPQG-UHFFFAOYSA-N;3-(4-Methoxyphenyl)-6H-[2]benzopyrano[4,3-c]pyridazin-6-one;3-(4-methoxyphenyl)-6H-[2]-benzopyrano[4,3-c]pyridazin-6-one

Chemical Property of 3-(4-Methoxyphenyl)-6H-[2]benzopyrano[4,3-c]pyridazin-6-one

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 304.08479225
• Heavy Atom Count: 23
• Complexity: 436

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2=NN=C3C4=CC=CC=C4C(=O)OC3=C2

Technology Process of 3-(4-Methoxyphenyl)-6H-[2]benzopyrano[4,3-c]pyridazin-6-one

There total 1 articles about 3-(4-Methoxyphenyl)-6H-[2]benzopyrano[4,3-c]pyridazin-6-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:

2-[6-(4-Methoxy-phenyl)-4-oxo-1,4-dihydro-pyridazin-3-yl]-benzoic acid (96825-70-6) → 2-(4-Methoxy-phenyl)-10-oxa-3,4-diaza-phenanthren-9-one (96825-72-8)

Guidance literature:

With acetic anhydride; In toluene; for 3h; Heating;

DOI:10.1021/jm00147a034

Reference yield:

2-(4-Methoxy-phenyl)-10-oxa-3,4-diaza-phenanthren-9-one (96825-72-8) → 3-(4-Methoxy-phenyl)-5H-pyridazino[4,3-c]isoquinolin-6-one (96825-75-1)

Guidance literature:

With ammonium acetate; at 190 - 200 ℃; for 9h;

DOI:10.1021/jm00147a034

Reference yield:

2-(4-Methoxy-phenyl)-10-oxa-3,4-diaza-phenanthren-9-one (96825-72-8) → 3-(4-Methoxy-phenyl)-6-pyrrolidin-1-yl-pyridazino[4,3-c]isoquinoline (96825-90-0)

Guidance literature:

Multi-step reaction with 3 steps

1: ammonium acetate / 9 h / 190 - 200 °C

2: 98 percent / phosphorus pentachloride, phosphorus oxychloride, pyridine / 4.5 h / Heating

3: 89 percent / bis-(2-methoxy-ethyl) ether / 8 h / 120 - 140 °C

With pyridine; ammonium acetate; phosphorus pentachloride; trichlorophosphate; In diethylene glycol dimethyl ether;

DOI:10.1021/jm00147a034

upstream raw materials:

2-[6-(4-Methoxy-phenyl)-4-oxo-1,4-dihydro-pyridazin-3-yl]-benzoic acid

Downstream raw materials:

3-(4-Methoxy-phenyl)-5H-pyridazino[4,3-c]isoquinolin-6-one

6-Chloro-3-(4-methoxy-phenyl)-pyridazino[4,3-c]isoquinoline

N,N-dimethyl-3-(4-methoxyphenyl)pyridazino[4,3-c]isoquinolin-6-amine

6-(1-Azetidinyl)-3-(4-methoxyphenyl)pyridazino[4,3-c]isoquinoline