5-(Trifluoromethyl)pyridazin-3(2H)-one

Base Information

• Chemical Name: 5-(Trifluoromethyl)pyridazin-3(2H)-one
• CAS No.: 244268-34-6
• Molecular Formula: C₅H₃F₃N₂O
• Molecular Weight: 164.087
• Hs Code.: 2933998090
• European Community (EC) Number: 820-862-9
• Mol file: 244268-34-6.mol

Synonyms:244268-34-6;5-(TRIFLUOROMETHYL)PYRIDAZIN-3(2H)-ONE;4-(trifluoromethyl)-1H-pyridazin-6-one;5-TRIFLUOROMETHYL-2H-PYRIDAZINE-3-ONE;5-Trifluoromethylpyridazin-3-ol;5-Trifluoromethyl-2H-Pyridazin-3-one;MFCD09841380;5-(trifluoromethyl)-2,3-dihydropyridazin-3-one;3(2H)-Pyridazinone, 5-(trifluoromethyl)-;5-(Trifluoromethyl)-2H-pyridazinone;SCHEMBL1691426;TQP1098;AKOS005256739;PB42371;DS-11906;SY108266;CS-0054146;EN300-300013;A817301;W-202021;Z1198234445

Chemical Property of 5-(Trifluoromethyl)pyridazin-3(2H)-one

Chemical Property:

• Melting Point: 106-108oC
• Refractive Index: 1.484
• PKA: 10.27±0.40(Predicted)
• PSA: 45.75000
• Density: 1.55g/cm3
• LogP: 0.78870
• Storage Temp.: -20°C Freezer
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 164.01974721
• Heavy Atom Count: 11
• Complexity: 241

Purity/Quality:

99%, ^*data from raw suppliers

5-Trifluoromethyl-2H-pyridazine-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=NNC1=O)C(F)(F)F
• Uses: Pyridazinone derivatives(5-Trifluoromethyl-2H-pyridazine-2-one) are useful as intermediates for preparing compounds having excellent herbicidal activity. Pyridazinone derivatives are useful as intermediates for preparing compounds having excellent herbicidal activity.

Technology Process of 5-(Trifluoromethyl)pyridazin-3(2H)-one

There total 1 articles about 5-(Trifluoromethyl)pyridazin-3(2H)-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: 79.0%

6-oxo-1,6-dihydro-pyridazine-4-carboxylic acid (867130-58-3) → 5-(trifluoromethyl)pyridazin-3(2H)-one (244268-34-6)

Guidance literature:

With sulfur tetrafluoride; hydrogen fluoride; at 85 ℃; for 24h; Autoclave; Inert atmosphere;

DOI:10.1021/acs.joc.9b03011

Reference yield: 80.0%

5-(trifluoromethyl)pyridazin-3(2H)-one (244268-34-6) → 3-chloro-5-(trifluoromethyl)pyridazine (845617-99-4)

Guidance literature:

With trichlorophosphate; In 1,4-dioxane; at 80 ℃; for 4h;

Reference yield:

5-(trifluoromethyl)pyridazin-3(2H)-one (244268-34-6) → 5-(trifluoromethyl)pyridazine-3-amine (1211591-88-6)

Guidance literature:

Multi-step reaction with 2 steps

1: trichlorophosphate; N,N-dimethyl-formamide / 2 h / 120 °C

2: ammonium hydroxide / tetrahydrofuran / 10 h / 100 °C / Microwave irradiation

With ammonium hydroxide; N,N-dimethyl-formamide; trichlorophosphate; In tetrahydrofuran;

upstream raw materials:

6-oxo-1,6-dihydro-pyridazine-4-carboxylic acid

Downstream raw materials:

3-chloro-5-(trifluoromethyl)pyridazine

5-(trifluoromethyl)pyridazine-3-amine

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