2458-26-6

Basic information

• Product Name: 3-Phenyl-1H-pyrazole
• Synonyms: 1H-Pyrazole, 3-phenyl-;3-phenyl-pyrazol;Pyrazole, 3-phenyl-;BUTTPARK 44\09-05;ART-CHEM-BB B028621;AKOS B028621;3(5)-Phenyl-1H-pyrazole;3-PHENYL-1H-PYRAZOLE
• CAS NO: 2458-26-6
• Molecular Formula: C₉H₈N₂
• Molecular Weight: 144.17
• EINECS: 222-099-1
• Product Categories: Pyrazoles & Triazoles;Pyrazoles & Triazoles;Building Blocks;Heterocyclic Building Blocks;Pyrazoles
• Mol File: 2458-26-6.mol
• Article Data: 65

Chemical Properties

• Melting Point: 75-77 °C
• Boiling Point: 314°C(lit.)
• Flash Point: 163.8 °C
• Appearance: White to yellow-orange/Powder
• Density: 1.1357 (rough estimate)
• Vapor Pressure: 0.000185mmHg at 25°C
• Refractive Index: 1.5960 (estimate)
• Storage Temp.: Store below +30°C.
• PKA: 13.52±0.10(Predicted)
• CAS DataBase Reference: 3-Phenyl-1H-pyrazole(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Phenyl-1H-pyrazole(2458-26-6)
• EPA Substance Registry System: 3-Phenyl-1H-pyrazole(2458-26-6)

Safety Data

• Hazard Codes: Xn,Xi
• Statements: 36/37/38-22-20/21/22
• Safety Statements: 37/39-26
• WGK Germany: 3
• RTECS: UQ7950000
• HazardClass: IRRITANT
• Hazardous Substances Data: 2458-26-6(Hazardous Substances Data)

Usage

Chemical Properties

white to yellowish-orange powder

InChI:InChI=1/C9H8N2/c1-2-4-8(5-3-1)9-6-7-10-11-9/h1-7H,(H,10,11)

Upstream product

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Downstream Products

• 69413-39-4 3-phenyl-pyrazole-1-carboxylic acid amide 
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• 126382-89-6 phenyl(3-phenyl-1H-pyrazol-1-yl)methanone 
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• 127094-80-8 (3-phenyl-pyrazol-1-yl)-acetic acid ethyl ester 
• 59843-36-6 4-chloro-3⁽⁵⁾-phenyl-1H-pyrazole 
• 13808-65-6 4-bromo-3(5)-phenyl-1H-pyrazole 
• 20583-31-7 3-(4-nitrophenyl)-1H-pyrazole 
• 99214-46-7 4-phenyl-1,2,3-triazine 
• 99214-41-2 1-amino-5-phenylpyrazole 

Relevant articles and documents

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ENAMINES. 8. POLAROGRAPHIC STUDY OF THE REACTIONS OF A NUMBER OF ENAMINO KETONES WITH NUCLEOPHILIC REAGENTS

The hydrolysis and hydrazinolysis of cyclic enamino ketones of the pyrrolidine, piperidine, and hexahydroazepine series, as well as their noncyclic analogs, were investigated.It is shown that these processes have several principles in common.A bell-shaped

Highly Efficient Cuprous Complexes with Thermally Activated Delayed Fluorescence for Solution-Processed Organic Light-Emitting Devices

Two mononuclear cuprous complexes [Cu(PNNA)(POP)]BF4 (1) and [Cu(PNNA)(Xantphos)]BF4 (2) (PNNA = 9,9-dimethyl-10-(6-(3-phenyl-1H-pyrazol-1-yl)pyridin-3-yl)-9,10-dihydroacridine, POP = bis[2-(dipenylphosphino)phenyl]ether, Xantphos =4

Photoelectric properties of aromatic triangular tri-palladium complexes and their catalytic applications in the Suzuki-Miyaura coupling reaction

The photoelectric properties and catalytic activities of substituted triphenylphosphine and sulfur/selenium ligand supported aromatic triangular tri-palladium complexes1-4, abbreviated as [Pd3]+, were investigated. The cyclic voltammogram of [Pd3]+in CH3CN-nBu4NPF6showed a single quasi-reversible wave which was consistent with their robust property and provided preliminary proof for their electron transfer processes in catalysis. With excitation at 267 nm, [Pd3]+exhibited strong ratiometric fluorescence at 550 and 780 nm at a temperature gradient from 77 K to 287 K. These peculiar triangular tri-palladium complexes showed excellent catalytic activities and exclusive reactivity with aryl iodides over the other halogenated aromatics in the Suzuki-Miyaura coupling reaction. The electronic and steric hindrance effects of substituents on the aryl iodides and aryl boronic acids including heteroaromatics like pyridine, pyrazine and thiophenes were explored and most substrates achieved up to 99% of yields. (2-[1,1′-Biphenyl]-2-ylbenzothiazole) which was analogous to the selective cyclooxygenase-2 (COX-2) inhibitors was also synthesized with our tri-palladium catalyst and gave good isolated yield (94%). The study of the catalytic process revealed that the mechanism of the reaction may involve the replacement of the sulphur ligand on [Pd3]+by iodine from aryl iodides, which was beneficial for the matching of C-I bond energy.

Palladium catalyzed hydrodefluorination of fluoro-(hetero)arenes

Palladium catalyzed hydrodefluorination was developed for fine-tuning the properties of fluoro-(hetero)aromatic compounds. The robust reaction can be set up in air, requires only commercially available components, and tolerates a variety of heterocycles and functionalities relevant to drug discovery. Given the prevalence of fluorine incorporation around metabolic hotspots, the corresponding deuterodefluorination reaction may prove useful for converting fluorinated libraries to deuterated analogues to suppress the oxidative metabolism by kinetic isotope effects.