742-01-8

Basic information

• Product Name: 1,3,5-TRIPHENYL-4,5-DIHYDRO-1H-PYRAZOLE
• Synonyms: 1,3,5-TRIPHENYL-2-PYRAZOLINE;1,3,5-TRIPHENYL-4,5-DIHYDRO-1H-PYRAZOLE;Luminor red-violet 440 RT;4,5-Dihydro-1,3,5-triphenyl-1H-pyrazole;1,3,5-TRIPHENYL-4,5-DIHYDRO-1H-PYRAZOLE (Luminor red-violet 440 RT);2,3,5-tri(phenyl)-3,4-dihydropyrazole;1,3,5-Triphenyl-4,5-dihydropyrazole;1,3,5-Triphenylpyrazoline
• CAS NO: 742-01-8
• Molecular Formula: C₂₁H₁₈N₂
• Molecular Weight: 298.38
• Mol File: 742-01-8.mol
• Article Data: 60

Chemical Properties

• Melting Point: 139-141℃
• Boiling Point: 453.9 °C at 760 mmHg
• Flash Point: 228.3 °C
• Appearance: /
• Density: 1.09
• Vapor Pressure: 1.99E-08mmHg at 25°C
• Refractive Index: 1.624
• PKA: -0.10±0.70(Predicted)
• CAS DataBase Reference: 1,3,5-TRIPHENYL-4,5-DIHYDRO-1H-PYRAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3,5-TRIPHENYL-4,5-DIHYDRO-1H-PYRAZOLE(742-01-8)
• EPA Substance Registry System: 1,3,5-TRIPHENYL-4,5-DIHYDRO-1H-PYRAZOLE(742-01-8)

Safety Data

• Hazardous Substances Data: 742-01-8(Hazardous Substances Data)

Usage

Properties and Applications

red light purple

InChI:InChI=1/C21H18N2/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)23(22-20)19-14-8-3-9-15-19/h1-15,21H,16H2

Upstream product

• 110-86-1 pyridine 
• 2515-61-9 1,5-Diphenyl-2-pyrazolin 
• 100-34-5 benzene diazonium chloride 
• 2183-27-9 1,3,5-triphenyl-1H-pyrazole 
• 113223-36-2 1,3-diphenyl-3-phenylhydrazono-propane-1-thione 
• 94-41-7 benzalacetophenone 
• 100-63-0 phenylhydrazine 
• 1215-43-6 benzoyl(thiobenzoyl)methane 
• 32831-01-9 3-chloro-3-phenylpropiophenone 
• 37799-62-5 chalcone phenylhydrazone 
• 100-42-5 styrene 
• 55849-26-8 (α-nitrobenzylidene)phenylhydrazine 
• 611-91-6 2,3-dibromo-1,3-diphenylpropane-1-one 
• 59-88-1 phenylhydrazine hydrochloride 

Downstream Products

• 2183-27-9 1,3,5-triphenyl-1H-pyrazole 
• 95834-05-2 C₂₂H₁₈ClN₃O₃S 
• 105257-86-1 [4-(3,5-Diphenyl-4,5-dihydro-pyrazol-1-yl)-phenyl]-(4-nitro-phenyl)-diazene 
• 105257-84-9 [4-(3,5-Diphenyl-4,5-dihydro-pyrazol-1-yl)-phenyl]-phenyl-diazene 
• 105257-83-8 [4-(3,5-Diphenyl-4,5-dihydro-pyrazol-1-yl)-phenyl]-p-tolyl-diazene 
• 105257-82-7 [4-(3,5-Diphenyl-4,5-dihydro-pyrazol-1-yl)-phenyl]-(4-methoxy-phenyl)-diazene 
• 105257-85-0 (4-Chloro-phenyl)-[4-(3,5-diphenyl-4,5-dihydro-pyrazol-1-yl)-phenyl]-diazene 
• 81400-83-1 C₅₀H₄₂N₄ 
• 81400-86-4 C₄₉H₃₉ClN₄ 
• 81400-88-6 C₄₉H₃₉N₅O₂ 
• 79913-24-9 2-<4-(3,5-diphenyl-2-pyrazolin-1-yl)phenyl>-4,5-benzo-1,3-dithiole 
• 79913-10-3 2-[4-(3,5-Diphenyl-4,5-dihydro-pyrazol-1-yl)-phenyl]-4-phenyl-[1,3]dithiol-1-ylium; iodide 
• 81400-82-0 phenylbismethane 
• 81400-84-2 C₅₀H₄₂N₄O 

Relevant articles and documents

Unexpected ring opening of pyrazolines with activated alkynes: synthesis of 1H-pyrazole-4,5-dicarboxylates and chromenopyrazolecarboxylates

1H-Pyrazole-4,5-dicarboxylates and chromenopyrazole carboxylates were prepared by reacting pyrazolines with activated alkynes under neat conditions without a catalyst. The products were formed via unexpected ring opening of pyrazolines with the elimination of styrene/ethylene. These types of transformations are unknown and the products formed were confirmed using their spectral/analytical data. In addition, the structures of compounds 5e and 5n were confirmed by single-crystal X-ray analysis. Control experiments were conducted to support the proposed reaction mechanism.

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.

Second harmonic generation in pyrazoline derivatives of dibenzylideneacetones and chalcone: A combined experimental and theoretical approach

In this work, we investigate theoretically and experimentally second harmonic generation (SHG) in three pyrazoline compounds, being two derivatives of dibenzylideneacetone (DBA) (C23H20N2 and C25H24N2O2) and one derivative of chalcone (C21H18N2). The compounds were synthesized after two steps employing a Claisen-Schmidt condensation followed by an addition-elimination reaction with phenylhydrazine. All compounds were characterized using NMR, FT-IR, UV-Vis, and XRD. We calculated the first-order hyperpolarizabilities of these molecules using program packages based on the time-dependent Hartree-Fock (TDHF) and density functional theory (DFT). SHG was characterized by Kurtz and Perry's powder method. We observed that these organic crystals present SHG efficiencies up to 5 times larger than the KDP, and we associated these values to their molecular structure and crystalline arrangements. The values obtained experimentally and theoretically evidence that these compounds have good potential for application in electronic devices based on second-order nonlinear responses.