1-Acetyl-3-phenyl-1H-pyridazino[4,5-e][1,3,4]thiadiazin-5(6H)-one

Base Information

• Chemical Name: 1-Acetyl-3-phenyl-1H-pyridazino[4,5-e][1,3,4]thiadiazin-5(6H)-one
• CAS No.: 90330-76-0
• Molecular Formula: C13H10N4O2S
• Molecular Weight: 286.314
• DSSTox Substance ID: DTXSID30523858
• Wikidata: Q82390237

Synonyms:90330-76-0;DTXSID30523858;1-Acetyl-3-phenyl-1H-pyridazino[4,5-e][1,3,4]thiadiazin-5(6H)-one

Chemical Property of 1-Acetyl-3-phenyl-1H-pyridazino[4,5-e][1,3,4]thiadiazin-5(6H)-one

Chemical Property:

• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 286.05244675
• Heavy Atom Count: 20
• Complexity: 547

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)N1C2=C(C(=O)NN=C2)SC(=N1)C3=CC=CC=C3

Technology Process of 1-Acetyl-3-phenyl-1H-pyridazino[4,5-e][1,3,4]thiadiazin-5(6H)-one

There total 2 articles about 1-Acetyl-3-phenyl-1H-pyridazino[4,5-e][1,3,4]thiadiazin-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: 82.0%

5-<(α-bromobenzylidene)hydrazino>-4-chloro-3(2H)-pyridazinone (90330-85-1) + potassium thioacetate (10387-40-3) → 4-acetyl-2-phenyl-4H-pyridazino<4,5-e><1,3,4>thiadiazin-8(7H)-one (90330-76-0)

Guidance literature:

In acetonitrile; for 4h; Heating;

Reference yield:

5-benzylidene-hydrazino-4-chloro-3(2H)-pyridazinone (91063-66-0) → 4-acetyl-2-phenyl-4H-pyridazino<4,5-e><1,3,4>thiadiazin-8(7H)-one (90330-76-0)

Guidance literature:

Multi-step reaction with 2 steps

1: Br₂

2: 82 percent / acetonitrile / 4 h / Heating

With bromine; In acetonitrile;

Reference yield: 90.0%

4-acetyl-2-phenyl-4H-pyridazino<4,5-e><1,3,4>thiadiazin-8(7H)-one (90330-76-0) → 3-phenyl-1H-pyrazolo<3,4-d>pyridazin-4(5H)-one (90330-88-4)

Guidance literature:

With potassium hydroxide; In methanol; for 1h; Heating;

upstream raw materials:

5-<(α-bromobenzylidene)hydrazino>-4-chloro-3(2H)-pyridazinone

potassium thioacetate

5-benzylidene-hydrazino-4-chloro-3(2H)-pyridazinone

Downstream raw materials:

3-phenyl-1H-pyrazolo<3,4-d>pyridazin-4(5H)-one

2-phenyl-4H-pyridazino<4,5-e><1,3,4>thiadiazin-8(7H)-one

4-acetyl-8-chloro-2-phenyl-4H-pyridazino<4,5-e><1,3,4>thiadiazine

4-Chloro-1-methyl-3-phenyl-1H-pyrazolo<3,4-d>pyridazine

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