857641-45-3

Basic information

• Product Name: 2-(4-METHYL-1H-PYRAZOL-1-YL)PYRIMIDINE
• Synonyms: 2-(4-METHYL-1H-PYRAZOL-1-YL)PYRIMIDINE
• CAS NO: 857641-45-3
• Molecular Formula: C₈H₈N₄
• Molecular Weight: 160.18
• Mol File: 857641-45-3.mol
• Article Data: 1

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 2-(4-METHYL-1H-PYRAZOL-1-YL)PYRIMIDINE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(4-METHYL-1H-PYRAZOL-1-YL)PYRIMIDINE(857641-45-3)
• EPA Substance Registry System: 2-(4-METHYL-1H-PYRAZOL-1-YL)PYRIMIDINE(857641-45-3)

Safety Data

• Hazardous Substances Data: 857641-45-3(Hazardous Substances Data)

Usage

Heterocyclic aromatic organic compound

This term describes the structure of the compound, which contains both pyrazole and pyrimidine rings.

Containing both pyrazole and pyrimidine rings

This describes the specific structure of the compound, which includes two heterocyclic rings.

Used in the synthesis of pharmaceutical drugs and agrochemicals

This describes the potential applications of the compound, which include its use as a building block in organic chemistry to create various compounds.

Potential as a building block in organic chemistry

This indicates that the compound can be used to create other compounds, making it an important intermediate in the production of various compounds used in the pharmaceutical and agrochemical industries.

Upstream product

• 7554-65-6 4-methyl-1H-pyrazole 
• 1722-12-9 2-chloropyrimidine 

Downstream Products

• 857641-48-6 [Pd(η3-C4H7)(2-(4-methyl-1H-pyrazol-1-yl)pyrimidine)][tetrakis(3,5-trifluoromethylphenyl)borate] 

Relevant articles and documents

Apparent allyl rotation and Pd-N bond rupture in allylpalladium complexes with N-donor ligands - Evidence of an associative mechanism

The new didentate N-donor ligands 2-(4-methyl-1H-pyrazol-1-yl)pyrimidine (4Me-pzpm, 1) and 2-(4-bromo-1H-pyrazol-1-yl)pyrimidine (4Br-pzpm, 2) have been synthesised and used to obtain the allylpalladium derivatives [Pd(η3-2Me-C3H4)(NN′)]X [X = BAr′4-, NN′ = 1 (3), NN′ = 2 (4); X = CF3SO3-, NN′ = 1 (5), NN′ = 2 (6)]. In complexes 3-6 two types of fluxional process have been found: apparent allyl rotation that is observed as Hsyn-Hsyn, H anti-Hanti interconversions and H4-H 6 interchange of the pyrimidine protons that must involve Pd-N(pm) bond rupture. The influence of different factors on both processes - such as the nature of the N-donor ligand, counterion, solvent, complex concentration and addition of water - has been studied. It has been concluded that the apparent allyl rotation has a lower free energy of activation and in both cases the presence of a species with coordinating ability favours the process. Negative entropies of activation have been found. Associative mechanisms involving participation of five-coordinate intermediates have been proposed. Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005.