89003-29-2

Basic information

• Product Name: 1H-Pyrazole, 4-[(methylthio)methyl]-3,5-diphenyl-
• CAS NO: 89003-29-2
• Molecular Formula: C17H16N2S
• Molecular Weight: 280.393
• Mol File: 89003-29-2.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 1H-Pyrazole, 4-[(methylthio)methyl]-3,5-diphenyl-(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-Pyrazole, 4-[(methylthio)methyl]-3,5-diphenyl-(89003-29-2)
• EPA Substance Registry System: 1H-Pyrazole, 4-[(methylthio)methyl]-3,5-diphenyl-(89003-29-2)

Safety Data

• Hazardous Substances Data: 89003-29-2(Hazardous Substances Data)

Usage

Molecular structure

1H-Pyrazole, 4-[(methylthio)methyl]-3,5-diphenylis a chemical compound with a pyrazole ring and a diphenyl group.

Functional groups

The 4-[(methylthio)methyl] group is attached to the pyrazole ring, adding a sulfur-containing methylthio functionality to the molecule.

Position of substitution

The diphenyl groups are attached at positions 3 and 5 of the pyrazole ring.

Potential applications

This chemical may have potential applications in pharmaceuticals, agrochemicals, and materials science due to its unique structure and potential properties.

Need for further research

Further research may be needed to fully understand its potential uses and effects.

Upstream product

• 89003-26-9 3-methylthio-2-methylthiomethylchalcone 

Relevant articles and documents

Polarized Ketene Dithioacetals. Part 26. Studies on Base-catalysed Rearrangements of 3,3-Bis(alkylthio)-2-methyl-1-arylprop-2-en-1-ones and 3,3-Bis(methylthio)-2-benzyl-1-phenylprop-2-en-1-one

3,3-Bis(alkylthio)-2-methyl-1-arylprop-2-en-1-ones (1a-e) undergo facile rearrangement in the presence of sodium hydride in dimethylformamide to give the corresponding 3-alkylthio-2-alkylthiomethylacrylophenones (2a-e), respectively.Similarly 3,3-bis(methylthio)-2-benzyl-1-phenylprop-2-en-1-one (13) under similar conditions yielded the rearranged product, the chalcone (14) and the acrylophenone (15), in addition to two more products, β-methylthiochalcone (16) and the propenone (17).The mechanisms governing these transformations have been studied and it has been shown that the 1,3-RS shift in the dithioacetal intermediate (19) involves intermolecular participation of thiolate anion rather than a concerted process.A probable mechanism involving the solvent equilibrated enolate anion (27) formed by Michael addition of thiolate anion to (19) or the phenyl derivative (26) has been suggested for the rearrangement of (19) to the products (2) and of (26) to either conpound (14) or (15).Also, the formation of products (16) or (17) is explained through oxidative cleavage of the carbanions (28) and (31) respectively.