4551-69-3

Basic information

• Product Name: 4-BENZOYL-3-METHYL-1-PHENYL-5-PYRAZOLINONE
• Synonyms: HPMBP;4-BENZOYL-3-METHYL-1-PHENYL-2-PYRAZOLIN-5-ONE;4-BENZOYL-3-METHYL-1-PHENYL-2-PYRAZOLONE;4-BENZOYL-3-METHYL-1-PHENYL-5-PYRAZOLINONE;4-BENZOYL-3-METHYL-1-PHENYL-5-PYRAZOLONE;1-PHENYL-3-METHYL-4-BENZOYL-2-PYRAZOLIN-5-ONE;1-PHENYL-3-METHYL-4-BENZOYLPYRAZOLONE;4-benzoyl-3-methyl-1-phenylpyrazol-5-one
• CAS NO: 4551-69-3
• Molecular Formula: C₁₇H₁₄N₂O₂
• Molecular Weight: 278.31
• EINECS: 224-918-8
• Product Categories: Heterocycles;Heterocyclic Compounds
• Mol File: 4551-69-3.mol
• Article Data: 10

Chemical Properties

• Melting Point: 90-92 °C(lit.)
• Boiling Point: 421.12°C (rough estimate)
• Flash Point: 244.2°C
• Appearance: /
• Density: 1.21
• Vapor Pressure: 2.23E-09mmHg at 25°C
• Refractive Index: 1.5500 (estimate)
• PKA: 3.91±0.70(Predicted)
• BRN: 888605
• CAS DataBase Reference: 4-BENZOYL-3-METHYL-1-PHENYL-5-PYRAZOLINONE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-BENZOYL-3-METHYL-1-PHENYL-5-PYRAZOLINONE(4551-69-3)
• EPA Substance Registry System: 4-BENZOYL-3-METHYL-1-PHENYL-5-PYRAZOLINONE(4551-69-3)

Safety Data

• Safety Statements: 24/25
• WGK Germany: 3
• Hazardous Substances Data: 4551-69-3(Hazardous Substances Data)

Usage

Chemical Properties

yellow crystalline powder or crystals

InChI:InChI=1/C17H14N2O2/c1-12-15(16(20)13-8-4-2-5-9-13)17(21)19(18-12)14-10-6-3-7-11-14/h2-11,15H,1H3/t15-/m0/s1

Upstream product

• 19735-89-8 3-methyl-1-phenylpyrazolin-5(4H)-one 
• 98-88-4 benzoyl chloride 
• 123-91-1 1,4-dioxane 
• 89-25-8 edaravone 

Downstream Products

• 844842-24-6 N-(4'-benzoylidene-3'-methyl-1'-phenyl-2'-pyrazoline-5'-one)sulphamethoxazole 
• 157334-18-4 N-(4'-benzoylidene-3'-methyl-1'-phenyl-2'-pyrazoline-5'-one)sulphadiazine 
• 157334-19-5 N-(4'-benzoylidene-3'-methyl-1'-phenyl-2'-pyrazoline-5'-one)sulphamerazine 
• 844842-31-5 N-(4'-benzoylidene-3'-methyl-1'-phenyl-2'-pyrazoline-5'-one)sulphadimethoxine 
• 62574-33-8 (5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)(phenyl)methanone 
• 113753-82-5 CpYb(bmphpz)2 
• 113753-97-2 Cp₂Yb(bmphpz) 

Relevant articles and documents

Supramolecular structure of 1-phenyl-3-methyl-4-benzoylpyrazolon-5-one

The compound 1-phenyl-3-methyl-4-benzoylpyrazolon-5-one with the molecular formula C17H14N2O2, exists in a keto-enamine tautomeric form. The pyrazolone ring makes dihedral angles of 28.36(3) and 59.31(5) with the two phenyl rings. The molecules are linked into twodimensional supramolecular structure by a combination of N-H···O and C-H···O hydrogen-bonding interactions.

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Introduction of new ancillary ligands to the iridium complexes having 2,3-diphenylquinolinato ligands for OLED

We investigated the effect of an ancillary ligand (AL) on the emission color and luminous efficiencies of its complex, Ir(4-Me-2,3-dpq)2(AL), where 4-Me-2,3-dpq represents 4-methyl-2,3-diphenylquinolinato ligand. We expected that ancillary ligand modification by introduction of the bulky substituent to the complexes might allow luminous efficiency increase by reduction of T-T annihilation. Furthermore, some ancillary ligands may contribute to fine-tuning of their complex emission colors by influencing the energy level of Ir d-orbitals upon the orbital mixing. As new ancillary ligands substituting for acac which is a typical AL in the iridium complexes, pyrazolone-based ligands, 4-R-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one series (przl-R), were prepared, where R represents C6H5, C6H4CH3 and C6H4Cl. These ligands were chelated to the iridium center to yield a new series of the iridium complexes, Ir(4-Me-2,3-dpq)2(przl-R). The X-ray crystal structure of Ir(4-Me-2,3-dpq)2(przl-C6H4Cl) was determined. The electrochemical and luminescence properties of the iridium complexes were investigated. The effect of the przl-substituents on the emission colors of the complexes was not significant. On the other hand, the luminous efficiencies of Ir(4-Me-2,3-dpq)2(przl-C6H5) and Ir(4-Me-2,3-dpq)2(przl-C6H4CH3) were higher than that of Ir(4-Me-2,3-dpq)2(acac).