1128-54-7

Basic information

• Product Name: 3-METHYL-1-PHENYLPYRAZOLE
• Synonyms: 3-METHYL-1-PHENYLPYRAZOLE;3-METHYL-1-PHENYL-1H-PYRAZOLE;3-METHYL-1-PHENYLPYRAZOLE 98%;3-Methyl-1-Phenyl-5-Pyrazolone,Gpr;3-Methyl-1-phenyl-1H-pyrazole,98%;3-Methyl-1-phenyl-1H-pyrazole, 98% 2.5GR;1-Phenyl-3-methylpyrazole;NSC 163372
• CAS NO: 1128-54-7
• Molecular Formula: C₁₀H₁₀N₂
• Molecular Weight: 158.2
• EINECS: 214-438-7
• Product Categories: Imidazoles, Pyrroles, Pyrazoles, Pyrrolidines
• Mol File: 1128-54-7.mol
• Article Data: 30

Chemical Properties

• Melting Point: 34-36 °C(lit.)
• Boiling Point: 255-256℃ (752 Torr)
• Flash Point: >230 °F
• Appearance: White/Crystals
• Density: 1,076 g/cm3
• Vapor Pressure: 0.0268mmHg at 25°C
• Refractive Index: 1.5870 (589.3 nm 20℃)
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 0.87±0.10(Predicted)
• Water Solubility: Insoluble in water.
• BRN: 117870
• CAS DataBase Reference: 3-METHYL-1-PHENYLPYRAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-METHYL-1-PHENYLPYRAZOLE(1128-54-7)
• EPA Substance Registry System: 3-METHYL-1-PHENYLPYRAZOLE(1128-54-7)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39
• WGK Germany: 3
• Hazardous Substances Data: 1128-54-7(Hazardous Substances Data)

Usage

Chemical Properties

white crystals

Uses

3-Methyl-1-phenyl-1H-pyrazole is used to produce 3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde at the temperature of 90-100°C with reagent phosphorus oxychloride.

InChI:InChI=1/C10H10N2/c1-9-7-8-12(11-9)10-5-3-2-4-6-10/h2-8H,1H3

Upstream product

• 33063-69-3 2,3-dimethyl-1-phenyl-pyrazolium; iodide 
• 1666-13-3 diphenyl diselenide 
• 189179-84-8 N-((E)-But-2-enyl)-N-phenyl-hydrazine 
• 7789-60-8 phosphorus tribromide 
• 397878-11-4 5,5'-dimethyl-2,2'-diphenyl-1,2,1',2'-tetrahydro-4,4'-benzylidene-bis-pyrazol-3-one 
• 54462-78-1 4-benzyl-5-methyl-2-phenyl-1,2-dihydro-pyrazol-3-one 
• 19735-89-8 3-methyl-1-phenylpyrazolin-5(4H)-one 
• 69190-65-4 1,1,3-triethoxy-but-2-ene 
• 64-17-5 ethanol 
• 100-63-0 phenylhydrazine 
• 591-50-4 iodobenzene 
• 1453-58-3 3-Methylpyrazole 
• 141998-86-9 1-phenyl-3-tri-n-butylstannyl-pyrazole 
• 74-88-4 methyl iodide 

Downstream Products

• 99853-52-8 4-chloromethyl-3-methyl-1-phenyl-1H-pyrazole 
• 387354-09-8 4-iodo-3-methyl-1-phenyl-1H-pyrazole 
• 1352633-00-1 3-methyl-1-{2-[(E)-2-(n-butoxycarbonyl)ethenyl]phenyl}-1H-pyrazole 
• 1352633-03-4 3-methyl-1-{2,6-bis[(E)-2-(n-butoxycarbonyl)ethenyl]phenyl}-1H-pyrazole 
• 1570098-69-9 1-phenyl-3methyl-4,5-bis[(4-cyanophenyl)]pyrazole 
• 1570098-70-2 4,5-bis-(3,5-bistrifluoromethylphenyl)-3-methyl-1-phenylpyrazole 
• 387353-94-8 5-(fluoro-dimethylsilanyl)-3-methyl-1-phenyl-1H-pyrazole 
• 89-25-8 edaravone 

Relevant articles and documents

TBHP/Cu(OAc)2 mediated oxidation of pyrazolines: A convenient method for the preparation of pyrazoles

An efficient and simple oxidative protocol has been developed for the preparation of pyrazoles from pyrazolines mediated by TBHP/Cu(OAc)2 at room temperature. The present protocol has been successfully applied for the preparation of various pyrazole compounds from heterocyclic pyrazolines.

A 2, 4 - dimethyl thiazole-based acrylonitrile compounds and use thereof (by machine translation)

The invention discloses a novel structure of the 2, 4 - dimethyl thiazole-based acrylonitrile compound or a stereoisomer thereof, a compound structure such as shown in formula I: In the formula: C R is selected from1 - C6 Alkyl, C1 - C6 Haloalkyl, C3 - C8 Cycloalkyl or C1 - C6 Alkoxy; Q is selected from the following group: R1 Is selected from H, halogen, methyl or trifluoromethyl; R2 Is selected from halogen; R3 , R4 Are independently selected from H, halogen, methyl or trifluoromethyl; or a stereoisomer thereof. The formula I compounds have excellent insecticidal, acaricidal activity, can be used for the pest, mites. (by machine translation)

Palladium-Catalyzed Deformylation Reactions with Detailed Experimental and in Silico Mechanistic Studies

A facile, efficient, and general deformylation reaction with a wide-ranging functional group compatibility has been developed with palladium acetate as a precatalyst under exogenous ligand-free conditions. The mechanistic details of the palladium-catalyzed deformylation reaction have been outlined on the basis of a combination of experimental and computational studies. The heterogeneous pathway is predominant for the deformylation, and homogeneous catalysis occurs to a lesser extent. This ligand-free catalytic cycle is proposed to undergo oxidative addition, migratory extrusion, and reductive elimination as the key steps. Kinetic studies reveal a first-order rate dependency with respect to the aldehyde. Furthermore, kinetic isotope effects, competition experiments, and Hammett studies suggest that the migratory extrusion step is the rate-determining step. For the homogeneous pathway, the experimental findings are also supported by DFT studies.