3(2H)-Pyridazinone, 6-methyl-5-phenyl-

Base Information

• Chemical Name: 3(2H)-Pyridazinone, 6-methyl-5-phenyl-
• CAS No.: 63795-91-5
• Molecular Formula: C11H10N2O
• Molecular Weight: 186.2099
• DSSTox Substance ID: DTXSID20213236
• Wikidata: Q83088527
• Mol file: 63795-91-5.mol

Synonyms:3(2H)-Pyridazinone, 6-methyl-5-phenyl-;BRN 0641318;5-Phenyl-6-methyl-3(2H)-pyridazinone;6-Methyl-5-phenyl-3(2H)-pyridazinone;63795-91-5;5-24-03-00473 (Beilstein Handbook Reference);SCHEMBL8482163;DTXSID20213236;LS-130039

Chemical Property of 3(2H)-Pyridazinone, 6-methyl-5-phenyl-

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.17g/cm³
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 186.079312947
• Heavy Atom Count: 14
• Complexity: 298

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NNC(=O)C=C1C2=CC=CC=C2

Technology Process of 3(2H)-Pyridazinone, 6-methyl-5-phenyl-

There total 5 articles about 3(2H)-Pyridazinone, 6-methyl-5-phenyl- 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: 89.0%

4-phenyl-5-methyl-5-hydroxy-2(5H)-furanone (105537-53-9) → 5-phenyl-6-methyl-3(2H)-pyridazinone (63795-91-5)

Guidance literature:

With hydrazine hydrate; In butan-1-ol; for 12h; Heating;

DOI:10.1021/jm00385a003

Reference yield:

1-phenyl-acetone (103-79-7,136675-26-8) → 5-phenyl-6-methyl-3(2H)-pyridazinone (63795-91-5)

Guidance literature:

Multi-step reaction with 2 steps

1: a) 135 deg C, 17 h, b) 117 deg C, 10 h

2: 89 percent / hydrazine hydrate / butan-1-ol / 12 h / Heating

With hydrazine hydrate; In butan-1-ol;

DOI:10.1021/jm00385a003

Reference yield:

4-Oxo-3-phenylpentanoic acid (6049-50-9) → 5-phenyl-6-methyl-3(2H)-pyridazinone (63795-91-5)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrazine hydrate / ethanol / 3 h / Reflux

2: bromine / acetic acid / 8 h / Reflux

With bromine; hydrazine hydrate; In ethanol; acetic acid;

DOI:10.1002/ddr.21370

upstream raw materials:

4-phenyl-5-methyl-5-hydroxy-2(5H)-furanone

Glyoxilic acid

1-phenyl-acetone

4-Oxo-3-phenylpentanoic acid

Downstream raw materials:

6-Amino-1-(3-ethoxycarbonyl-propyl)-3-methyl-4-phenyl-pyridazin-1-ium; bromide

6-Amino-1-(3-carboxy-propyl)-3-methyl-4-phenyl-pyridazin-1-ium; bromide

(6-Methyl-5-phenyl-pyridazin-3-yl)-hydrazine

3-amino-5-phenyl-6-methylpyridazine