79991-38-1

Basic information

• Product Name: 1H-Pyrazole, 5-methyl-3-phenyl-1-(phenylmethyl)-
• CAS NO: 79991-38-1
• Molecular Formula: C17H16N2
• Molecular Weight: 248.327
• Mol File: 79991-38-1.mol
• Article Data: 4

Chemical Properties

• CAS DataBase Reference: 1H-Pyrazole, 5-methyl-3-phenyl-1-(phenylmethyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-Pyrazole, 5-methyl-3-phenyl-1-(phenylmethyl)-(79991-38-1)
• EPA Substance Registry System: 1H-Pyrazole, 5-methyl-3-phenyl-1-(phenylmethyl)-(79991-38-1)

Safety Data

• Hazardous Substances Data: 79991-38-1(Hazardous Substances Data)

Upstream product

• 100-39-0 benzyl bromide 
• 56426-41-6 3-methyl-5-phenylpyrazole 
• 100-44-7 benzyl chloride 
• 20570-96-1 benzylhydrazine dihydrochloride 
• 93-91-4 1-phenylbutan-1,3-dione 
• 95514-24-2 (Z)-1-amino-1-phenyl-1-buten-3-one 
• 32064-65-6 benzylhydrazine oxalate 
• 3347-62-4 5-methyl-3-phenyl-1H-pyrazole 
• 1896-62-4 (E)-benzalacetone 
• 53941-18-7 trans-4-phenyl-3-buten-2-one tosylhydrazone 
• 495-41-0 1-phenylbut-2-en-1-one 

Relevant articles and documents

Porphyrins with four azole substituents in meso positions: X-ray crystal structure of meso-tetrakis-(1-benzylpyrazol-4-yl)-porphyrin at 200 K

Several new porphyrins have been prepared in improved yields using an established method which was adapted to formylpyrazoles bearing on the pyrazole N1-nitrogen protective groups. The deprotection of N-para-methoxybenzyl and SEM protected meso

Scope and limitations in the regioselective synthesis of 1,3,5-trisubstituted pyrazoles from β-amino enones and hydrazine derivatives. 13C-chemical shift prediction rules for 1,3,5-trisubstituted pyrazoles

β-amino enones react with hydrazine derivatives to give regioselectively 1,3,5-trisubstituted pyrazoles. The synthetic method only presents limitations when the β-substituent of the enone and the hydrazine substituent are bulky or possess an electron withdrawing character. Comparison of the 13C-NMR spectra of the seventy pyrazoles allowed us to estimate a 13C-chemical shift prediction rule for 1,3,5-trisubstituted pyrazoles, with deviations of less than ± 1 ppm.