96440-80-1

Basic information

• Product Name: 3-(tert-Butyl)-5-methyl-1H-pyrazole
• Synonyms: 3-(tert-Butyl)-5-methyl-1H-pyrazole
• CAS NO: 96440-80-1
• Molecular Formula: C₈H₁₄N₂
• Molecular Weight: 138.21016
• Mol File: 96440-80-1.mol
• Article Data: 12

Chemical Properties

• Boiling Point: 232.3°Cat760mmHg
• Flash Point: 92.3°C
• Appearance: /
• Density: 0.96g/cm³
• Vapor Pressure: 0.0905mmHg at 25°C
• Refractive Index: 1.495
• CAS DataBase Reference: 3-(tert-Butyl)-5-methyl-1H-pyrazole(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(tert-Butyl)-5-methyl-1H-pyrazole(96440-80-1)
• EPA Substance Registry System: 3-(tert-Butyl)-5-methyl-1H-pyrazole(96440-80-1)

Safety Data

• Hazardous Substances Data: 96440-80-1(Hazardous Substances Data)

Usage

General Description

3-(tert-Butyl)-5-methyl-1H-pyrazole is a chemical compound with the molecular formula C8H14N2. It is a pyrazole derivative, a five-membered heterocyclic compound containing a ring of four carbon atoms and one nitrogen atom. The compound is a white to off-white crystalline solid at room temperature and is soluble in organic solvents. It is commonly used as a building block in the synthesis of pharmaceuticals and agrochemicals. The tert-butyl and methyl groups on the pyrazole ring provide stability and steric hindrance, making the compound useful as a ligand in coordination chemistry. Its unique structure and reactivity make 3-(tert-Butyl)-5-methyl-1H-pyrazole a valuable tool in organic synthesis and materials science.

InChI:InChI=1/C8H14N2/c1-6-5-7(10-9-6)8(2,3)4/h5H,1-4H3,(H,9,10)

Upstream product

• 33663-62-6 5-amino-2,2-dimethylhex-4-en-3-one 
• 563-41-7 semicarbazide hydrochloride 
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• 7400-27-3 tertbutylhydrazine hydrochloride 

Downstream Products

• 828283-34-7 3-(tert-butyl)-5-methyl-1-phenyl-1H-pyrazole 

Relevant articles and documents

Discovery and SAR Evolution of Pyrazole Azabicyclo[3.2.1]octane Sulfonamides as a Novel Class of Non-CovalentN-Acylethanolamine-Hydrolyzing Acid Amidase (NAAA) Inhibitors for Oral Administration

Inhibition of intracellularN-acylethanolamine-hydrolyzing acid amidase (NAAA) activity is a promising approach to manage the inflammatory response under disabling conditions. In fact, NAAA inhibition preserves endogenous palmitoylethanolamide (PEA) from degradation, thus increasing and prolonging its anti-inflammatory and analgesic efficacy at the inflamed site. In the present work, we report the identification of a potent, systemically available, novel class of NAAA inhibitors, featuring a pyrazole azabicyclo[3.2.1]octane structural core. After an initial screening campaign, a careful structure-activity relationship study led to the discovery ofendo-ethoxymethyl-pyrazinyloxy-8-azabicyclo[3.2.1]octane-pyrazole sulfonamide50(ARN19689), which was found to inhibit human NAAA in the low nanomolar range (IC50= 0.042 μM) with a non-covalent mechanism of action. In light of its favorable biochemical, in vitro and in vivo drug-like profile, sulfonamide50could be regarded as a promising pharmacological tool to be further investigated in the field of inflammatory conditions.

Palladium catalyzed addition of arylboronic acid or indole to nitriles: Synthesis of aryl ketones

Aryl ketones can be synthesized conveniently by a palladium catalyzed addition of arylboronic acid to nitriles in aqueous triflic acid. This catalytic system was extended to the addition of unprotected indoles to nitriles under a slightly modified condition to produce 3-acyl indoles in good yields.

Nitrogen-containing heterocycles from metal β-diketonates

Factors determining the reaction of metal β-diketonates with hydrazine, in particular the nature of central metal ion and structure of β-diketonate ligand, are discussed. The possibility for the preparation of other heterocyclic compounds via reaction of metal acetylacetonates with phenylhydrazine, o-phenylenediamine, urea, and thiourea was studied.