27293-95-4

Basic information

• Product Name: 3-(4-chlorophenyl)-1,5-diphenyl-1H-pyrazole
• CAS NO: 27293-95-4
• Molecular Formula: C₂₁H₁₅ClN₂
• Molecular Weight: 330.8102
• Mol File: 27293-95-4.mol
• Article Data: 19

Chemical Properties

• Boiling Point: 500.2°C at 760 mmHg
• Flash Point: 256.3°C
• Density: 1.17g/cm³
• Vapor Pressure: 1.2E-09mmHg at 25°C
• Refractive Index: 1.635
• CAS DataBase Reference: 3-(4-chlorophenyl)-1,5-diphenyl-1H-pyrazole(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(4-chlorophenyl)-1,5-diphenyl-1H-pyrazole(27293-95-4)
• EPA Substance Registry System: 3-(4-chlorophenyl)-1,5-diphenyl-1H-pyrazole(27293-95-4)

Safety Data

• Hazardous Substances Data: 27293-95-4(Hazardous Substances Data)

Upstream product

• 16616-42-5 p-chlorobenzoylphenylacetylene 
• 100-63-0 phenylhydrazine 
• 29776-35-0 1-(4-chlorophenyl)-3-phenylprop-2-yn-1-one 
• 70-11-1 α-bromoacetophenone 
• 2829-26-7 N-(4-chlorobenzylidene)-N'-phenylhydrazine 
• 104-88-1 4-chlorobenzaldehyde 
• 1432596-07-0 (Z)-1-(4-chlorophenyl)-3-(methylthio)-3-phenylprop-2-en-1-one 
• 536-74-3 phenylacetylene 
• 22966-22-9 (E)-1-(4-chlorophenyl)-3-phenyl-2-propen-1-one 
• 637-87-6 1-Chloro-4-iodobenzene 
• 591-50-4 iodobenzene 
• 873-73-4 4-n-chlorophenylacetylene 
• 10180-02-6 C₂₁H₁₇ClN₂⁽¹⁺⁾ 
• 10180-02-6 3-(4-chloro-phenyl)-1,5-diphenyl-4,5-dihydro-1H-pyrazole 

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.

Visible light mediated metal-free oxidative aromatization of 1,3,5-trisubstituted pyrazolines

The visible light mediated oxidation of 1,3,5-trisubstituted pyrazolines under metal-free conditions was developed. Various substituted pyrazolines were oxidized to pyrazoles by irradiation with visible light/sunlight. A plausible mechanism was proposed f

13C NMR spectroscopy of heterocycles: 1-phenyl-3-aryl/t-butyl-5-arylpyrazoles

A series of chalcones 1-12 were converted to pyrazolines (1Pi-12Pi) by reaction with phenylhydrazine followed by DDQ oxidation to produce the corresponding pyrazoles (1Pz-12Pz). Three 1-phenyl-3-t-butyl-5-arylpyrazoles (13Pz-15Pz) were synthesized using an analogous approach. Molecular modeling studies predicted the 5-aryl group of the pyrazoles for both series to have a torsion angle of 52°-54° whereas the 1-phenyl group was predicted to have 35°-37° torsion angles. The 3-aryl group was predicted to be essentially coplanar (-3°) with the pyrazole system in the first series. 13C NMR data for both series, 1Pz-12Pz and 13Pz-15Pz, were collected in DMSO-d6 at 50°C. A plot of the C4 chemical shifts for 1Pz-12Pz versus Hammet constants for 5-aryl substituents yielded a very good linear correlation (R2=0.96) with a slope of 1.5. The chemical shift data for C4 showed little or no dependence on 3-aryl substituents. The result for 13Pz-15Pz, despite only three points, was consistent with the first series results and yielded a ρ value of 2.0. Distal transmission of substituent effects (5-aryl groups) to C4 of the pyrazole system was reduced by roughly 50-60% of that of the analogous planar isoxazole system, but are not consistent with results for the similarly twisted 4-bromoisoxazoles.