68337-35-9

Basic information

• Product Name: 1H-Pyrazole, 1-(4-methoxyphenyl)-3-methyl-5-phenyl-
• CAS NO: 68337-35-9
• Molecular Formula: C17H16N2O
• Molecular Weight: 264.327
• Mol File: 68337-35-9.mol
• Article Data: 6

Chemical Properties

• CAS DataBase Reference: 1H-Pyrazole, 1-(4-methoxyphenyl)-3-methyl-5-phenyl-(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-Pyrazole, 1-(4-methoxyphenyl)-3-methyl-5-phenyl-(68337-35-9)
• EPA Substance Registry System: 1H-Pyrazole, 1-(4-methoxyphenyl)-3-methyl-5-phenyl-(68337-35-9)

Safety Data

• Hazardous Substances Data: 68337-35-9(Hazardous Substances Data)

Upstream product

• 19501-58-7 4-methoxyphenylhydrazine hydrochloride 
• 93-91-4 1-phenylbutan-1,3-dione 
• 1896-62-4 (E)-benzalacetone 
• 1381772-73-1 1-(4-methoxyphenyl)-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazole 
• 1428978-86-2 (Z)-1-(4-methoxyphenyl)-2-((E)-4-phenylbut-3-en-2-ylidene)hydrazine 
• 3471-32-7 4-Methoxyphenylhydrazine 
• 95514-24-2 (Z)-1-amino-1-phenyl-1-buten-3-one 
• 23652-90-6 (2Z)-3-amino-1-phenylbut-2-en-1-one 

Downstream Products

• 1215212-21-7 C₁₇H₁₅FN₂O 
• 56426-41-6 3-methyl-5-phenylpyrazole 
• 106-51-4 p-benzoquinone 

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.

Microwave-mediated pyrazole fluorinations using selectfluor

Microwave-mediated electrophilic fluorinations and a new single-pot condensation en route to ring-fluorinated pyrazoles were examined: chemical equation represented The monofluorination by these methods was successful for a variety of pyrazoles, with yields ranging from 13% to 75%. While electrophilic aromatic fluorination of 3-CF3 pyrazoles proved largely ineffective, development ofa single-pot process overcame this limitation. The microwave-mediated reaction is regioselective; ring fluorination of the heterocycle occurs preferentially over phenyl and alkyl substituents. Alkyl side chain fluorination, when desired, can be modulated by reactant ratios. The single-pot method, which involves acid catalysis by H-TEDA, produces 4-fluoropyrazoles products.

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.