141665-16-9

Usage

Pyrazole derivative

A compound derived from the pyrazole structure, which is a five-membered heterocyclic ring containing two nitrogen atoms.

Commonly used as a ligand

1-Methyl-3-t-butylpyrazole is often used to bind to metal ions in coordination chemistry, helping to form stable complexes.

Chelating ability

The compound can chelate metal ions, forming multiple bonds with a single metal ion, which is useful in various industrial and research applications.

Promising candidate for new catalysts and materials

Due to its unique chemical properties, 1-Methyl-3-t-butylpyrazole is being explored for the development of innovative catalysts and materials.

Pharmaceutical industry interest

The compound is of interest in the pharmaceutical field for its potential use in drug design and synthesis, as it may contribute to the development of new therapeutic agents.

Versatile and important chemical compound

1-Methyl-3-t-butylpyrazole has a broad range of applications across scientific and industrial fields, making it a significant compound in modern chemistry.

InChI:InChI=1/C8H14N2/c1-8(2,3)7-5-6-10(4)9-7/h5-6H,1-4H3

Upstream product

• 39245-06-2 4,4-dimethyl-3-oxo-pentanal 1-enol tautomer 
• 60-34-4 methylhydrazine 
• 118430-73-2 5-tert-butyl-2-methyl-2H-pyrazol-3-ylamine 

Relevant academic research and scientific papers

9H-PYRIMIDO[4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS

The present disclosure provides substituted 9H-pyrimido[4,5-b]indoles and 5H-pyrido[4,3-b]indoles and related analogs represented by Formula I: and the pharmaceutically acceptable salts, hydrates, and solvates thereof, wherein R1a, A, B1, B2, G, X1, Y1, Y2, and Y3 are as defined as set forth in the specification. The present disclosure is also directed to the use of compounds of Formula I to treat a condition or disorder responsive to inhibition of BET bromodomains. Compounds of the present disclosure are especially useful for treating cancer.

Basicity of C-Substituted Pyrazoles in the Gas Phase: An Experimental (ICR) and Theoretical Study

The experimental gas-phase proton affinities (PAs) of 32 N-H and N-methyl pyrazoles have been determined by means of Fourier transform ion cyclotron resonance spectroscopy (FTICR).Together with the previously reported PAs for 12 C-methyl-substituted pyrazoles, they provide a set of 57 data (counting each tautomer separately).The remarkable large spread of PAs, ca. 55 kcal*mol-1, makes this set most suitable for structural analyses.In a few cases, ab initio 6-31 G//6-31G protonation energies were calculated and found to be linearly related to the experimental PAs to a very high degree of precision.A simple additive model of substituent effects on PAs (including substitutions at positions 3,4, and 5) was found to hold, even for very crowded derivatives such as 1,4-dimethyl-3,5-di-tert-butylpyrazole (27).The only significant interaction appears between phenyl groups at positions 3 and 5.The statistically averaged substituent effects on PAs were successfully analyzed in terms of polarizability and field and resonance contributions, according to the Taft-Topsom model.Both positions 3 and 5 behave in a way similar to that of position 2 in the pyridines.From this interesting result it follows that, with the exception of 3-aminopyrazole, the tautomerism of pyrazoles is not very dependent of the nature of the 3(5)-substituent.