14704-41-7

Basic information

• Product Name: 3,5-BIS(TRIFLUOROMETHYL)PYRAZOLE
• Synonyms: TIMTEC-BB SBB006683;3,5-DI(TRIFLUOROMETHYL)PYRAZOLE;3,5-BIS(TRIFLUOROMETHYL)PYRAZOLE;3,5-BIS(TRIFLUOROMETHYL)-1H-PYRAZOLE;3,3-Bis(trifluoromethyl)pyrazol;3,5-Bis(trifluoromethyl)pyrazole 97%;3,5-Bis(trifluoromethyl)pyrazole97%;3,5-Di(trifluoromethyl)-1H-pyrazole
• CAS NO: 14704-41-7
• Molecular Formula: C₅H₂F₆N₂
• Molecular Weight: 204.07
• Product Categories: Heterocyclic Compounds;Building Blocks;Heterocyclic Building Blocks;Pyrazoles
• Mol File: 14704-41-7.mol
• Article Data: 13

Chemical Properties

• Melting Point: 83-85 °C(lit.)
• Boiling Point: 147°C(lit.)
• Flash Point: 45.4°C
• Appearance: /
• Density: 1.5672 (estimate)
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility: soluble in Methanol
• PKA: 7.12±0.10(Predicted)
• CAS DataBase Reference: 3,5-BIS(TRIFLUOROMETHYL)PYRAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 3,5-BIS(TRIFLUOROMETHYL)PYRAZOLE(14704-41-7)
• EPA Substance Registry System: 3,5-BIS(TRIFLUOROMETHYL)PYRAZOLE(14704-41-7)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 14704-41-7(Hazardous Substances Data)

Usage

Chemical Properties

colorless to light yellow crystalline powder

InChI:InChI=1/BF4.Ni/c2-1(3,4)5;/q-1;+2

Upstream product

• 373-88-6 2,2,2-trifluroethylamine hydrochloride 
• 1522-22-1 1,1,1,5,5,5-hexafluoroacetylacetone 
• 165253-31-6 (tetrahydro-3-furanyl)methylamine 

Downstream Products

• 866638-66-6 1-(3-methyl-4-nitrobenzyl)-3,5-bis(trifluoromethyl)-1H-pyrazole 
• 1333-74-0 hydrogen 
• 83896-76-8 trans-Ir(PPh₃)2(CO)(3,5-bis(trifluoromethyl)pyrazolate) 
• 82887-93-2 Pt(dppe)(3,5-bis(trifluoromethyl)pyrazole)2 
• 83896-76-8 trans-Ir(3,5-(CF₃)2-pz)(CO)(PPh₃)2 
• 79772-10-4 trans-[3,5-bis(trifluoromethyl)pyrazolato]carbonylbis(triphenylphosphine)rhodium(I) 
• 85655-40-9 [(3,5-bis(trifluoromethyl)-1H-pyrazolate-1-yl)-triphenylphosphane-gold(I)] 

Relevant articles and documents

Preparation method of dinotefuran

The invention provides a preparation method of dinotefuran, and belongs to the field of organic synthesis. The invention provides a preparation method of dinotefuran, which is characterized by comprising the following steps: step 1, adding a compound I, a compound II and a solvent into a reaction container, heating to 50 DEG C which is the reflux temperature of the solvent, reacting for 1-24 hours, then adding tetrahydrofuran-3-methylamine, and continuously reacting for 1-24 hours to obtain a reaction solution; and 2, cooling the reaction solution to 0-20 DEG C, standing, filtering, separating the solid and filtrate, and purifying the solid to obtain dinotefuran, wherein the structural formula of the compound I is shown in the specification, the structural formula of the compound II is shown in the specification, and R1 and R2 are independently selected from any one of H, C1-C5 alkyl and C1-C5 alkyl substituted by at least one halogen atom. According to the invention, a brand new dinotefuran synthesis route is developed, the synthesis route is greatly shortened, and the production efficiency is improved.

Trifluoromethylated 3-(Pyrazol-1-yl)propanamide (PPA) Ligands

The new PPA ligands 3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanamide (CF3MePPA; 3) and 3-[3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl]propanamide ((CF3)2PPA; 4) were synthesized by Aza-Michael addition of the specific pyrazole derivatives to acrylamide. Both products were characterized by elemental analyses, IR and NMR spectroscopy, and mass spectrometry. X-Ray structure determination of 3 revealed the presence of a one-dimensional hydrogen-bonded structure in the solid state. The ligating ability of the new ligands towards PdCl2 was studied, showing that 3 behaves similar to Me2PPA and reacts cleanly with PdCl2 to afford the sparingly soluble complex PdCl2(CF3MePPA-κN)2. By contrast, the donor ability of pyrazolyl group in 4 was found to be considerably reduced, thus resulting in the formation of the unusual complex PdCl2{(CF3)2PPA-κN}{(CF3)2PPA-κO}.

Method for breaking C-N bond through biomimetic catalysis in aryl nitrogen-containing compound

The invention discloses a method for breaking a C-N bond through biomimetic catalysis in an aryl nitrogen-containing compound. A reaction system for breaking the C-N bond in the aryl nitrogen-containing compound through metalloporphyrin mimic enzyme biomimetic catalysis is used, and the preparation of the catalyst and the optimization of the reaction system are involved. Iron porphyrin, manganeseporphyrin and cobalt porphyrin are adopted as mimetic enzymes and H2O2 is used as an oxidant to respectively break the C-N bonds of arylpyrazole derivatives with different structures through catalyst,the yield of a nitrogen heterocyclic product can reach 15.2% to the largest content, and the yield is 4 times of that of bio-enzyme catalysis, and is close to the yield (20%) of cerium ammonium nitrate oxidation. The method has the advantages of simplicity, mildness, economy, and greenness compared with conventional oxidants or transition metal catalyst systems.