17536-00-4

Basic information

• Product Name: 3,5-DIISOPROPYLPYRAZOLE
• Synonyms: 3,5-DIISOPROPYLPYRAZOLE;3,5-DIISOPROPYLPYRAZOLE 98+%;3,5-bis(propan-2-yl)-1H-pyrazole
• CAS NO: 17536-00-4
• Molecular Formula: C₉H₁₆N₂
• Molecular Weight: 152.24
• EINECS: 241-652-8
• Mol File: 17536-00-4.mol
• Article Data: 7

Chemical Properties

• Melting Point: 88 °C
• Boiling Point: 595.8°C at 760 mmHg
• Flash Point: 53.7°C
• Appearance: /
• Density: 0.862g/cm³
• Vapor Pressure: 3.67E-14mmHg at 25°C
• Refractive Index: 1.462
• CAS DataBase Reference: 3,5-DIISOPROPYLPYRAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 3,5-DIISOPROPYLPYRAZOLE(17536-00-4)
• EPA Substance Registry System: 3,5-DIISOPROPYLPYRAZOLE(17536-00-4)

Safety Data

• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• Hazardous Substances Data: 17536-00-4(Hazardous Substances Data)

Usage

General Description

3,5-Diisopropylpyrazole is a chemical compound that falls under the organic category, specifically within the heterocyclic compounds family. Pyrazoles belong to a class of organic compounds with a five-membered aromatic ring, which have two adjacent nitrogen atoms. The "3,5-Diisopropyl" part of its name refers to the presence of isopropyl groups attached to the 3 and 5 positions of the pyrazole ring. Isopropyl groups consist of a carbon atom surrounded by hydrogen atoms. The chemical properties, uses, and safety data for 3,5-diisopropylpyrazole are not widely documented, indicating that its applications may not be widespread or it might be a relatively new compound; further research would be needed to fully define its characteristics.

InChI:InChI=1/C36H70O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-36(37)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-35H2,1-2H3/b19-17-

Upstream product

• 112-90-3 (Z)-9-octadecen-1-amine 
• 563-80-4 3-methyl-butan-2-one 
• 671246-69-8 3,5-diisopropyl-1-[2-(toluene-4-sulfonyl)-ethyl]-1H-pyrazole 
• 18362-64-6 2,6-dimethyl-3,5-heptanedione 

Downstream Products

• 1449292-77-6 2-[1-(2,6-diisopropylphenylimino)ethyl]-6-(3,5-diisopropylpyrazol-1-yl)pyridine 
• 1449292-85-6 2-[1-(2,6-diisopropylphenylimino)ethyl]-6-(3,5-diisopropylpyrazol-1-yl)pyridine cobaltdichloride 
• 1469860-80-7 [Cu(3,5-diisopropylpyrazole)₃(NO₃)(p-ClBz)]*CH₃CN 
• 1316892-12-2 C₆H₇O₃P*C₉H₁₆N₂ 
• 1000381-31-6 [(Hg3(μ-η1:η1-iPr2pz)4(C6F5)2] 
• 945734-41-8 di(3,5-diisopropylpyrazole)dicobalt(II)di(μ-3,5-diisopropylpyrazolato)di(p-nitrobenzoate) 
• 921933-08-6 [(3,5-diisopropylpyrazole)4Mn(p-fluorobenzoate)2] 
• 921933-07-5 [(3,5-diisopropylpyrazole)4Mn(p-nitrobenzoate)2] 

Relevant articles and documents

The crystal structure of 3,5-diisopropyl-4-nitropyrazole from X-ray powder diffraction data

The crystal structure of 3,5-diisopropyl-4-nitropyrazole, 3c, has been determined by a Patterson Search method from laboratory X-ray powder diffraction data. The crystal data are: monoclinic symmetry with the unit-cell parameters a = 19.530(5), b = 6.485(1) and c = 17.937(3) ?,β = 100.32(1)°, space group 12/a, C9H15N3O2, Z = 8, 293 K. After indexing the powder pattern by two methods, the unit-cell parameters found were refined by a least-squares technique. A whole pattern-fitting program was used to extract the integrated intensities. The structure was solved taking a related compound as a search model and the final Rietveld refinement converged to Rwp = 0.1971 and Rp = 0.1437. The structure presents a dimer conformation between N atoms through a hydrogen bond.

Versatile Tri(pyrazolyl)phosphanes as Phosphorus Precursors for the Synthesis of Highly Emitting InP/ZnS Quantum Dots

Tri(pyrazolyl)phosphanes (5R1,R2) are utilized as an alternative, cheap and low-toxic phosphorus source for the convenient synthesis of InP/ZnS quantum dots (QDs). From these precursors, remarkably long-term stable stock solutions (>6 months) of P(OLA)3 (OLAH=oleylamine) are generated from which the respective pyrazoles are conveniently recovered. P(OLA)3 acts simultaneously as phosphorus source and reducing agent in the synthesis of highly emitting InP/ZnS core/shell QDs. These QDs are characterized by a spectral range between 530–620 nm and photoluminescence quantum yields (PL QYs) between 51–62 %. A proof-of-concept white light-emitting diode (LED) applying the InP/ZnS QDs as a color-conversion layer was built to demonstrate their applicability and processibility.

Synthesis of β-tosylethylhydrazine and its use in preparation of N-protected pyrazoles and 5-aminopyrazoles

β-Tosylethylhydrazine (6) can be prepared efficiently in one step from commercially available p-tolyl vinyl sulfone (7) and hydrazine hydrate. This hydrazine reacts with both 1,3-diketones and conjugated ynones in glacial acetic acid to provide a variety of N-tosylethyl-protected (TSE) pyrazoles in good yields. The TSE group can be removed from the pyrazoles using potassium t-butoxide in THF at -30°C-rt. In addition, hydrazine 6 condenses with β-ketonitriles and β-aminoacrylonitriles to afford 5-aminopyrazoles, which can be deprotected by brief treatment with NaOEt in EtOH/DMSO at 45°C.