126208-61-5

Basic information

• Product Name: 5-TERT-BUTYL-2-PHENYL-2H-PYRAZOL-3-YLAMINE
• Synonyms: 3-TERT-BUTYL-1-PHENYL-1H-PYRAZOL-5-AMINE;5-TERT-BUTYL-2-PHENYL-2H-PYRAZOL-3-YLAMINE;BUTTPARK 30\09-71;1H-Pyrazol-5-amine, 3-(1,1-dimethylethyl)-1-phenyl-;5-Amino-3-tert-butyl-1-phenylpyrazole;5-tert-Butyl-2-phenyl-2H-pyrazol-3-ylamin
• CAS NO: 126208-61-5
• Molecular Formula: C₁₃H₁₇N₃
• Molecular Weight: 215.29
• Mol File: 126208-61-5.mol
• Article Data: 19

Chemical Properties

• Melting Point: 59-61°C
• Boiling Point: 356.3 °C at 760 mmHg
• Flash Point: 169.3 °C
• Appearance: /
• Density: 1.07 g/cm³
• Vapor Pressure: 2.95E-05mmHg at 25°C
• Refractive Index: 1.577
• PKA: 3.96±0.10(Predicted)
• CAS DataBase Reference: 5-TERT-BUTYL-2-PHENYL-2H-PYRAZOL-3-YLAMINE(CAS DataBase Reference)
• NIST Chemistry Reference: 5-TERT-BUTYL-2-PHENYL-2H-PYRAZOL-3-YLAMINE(126208-61-5)
• EPA Substance Registry System: 5-TERT-BUTYL-2-PHENYL-2H-PYRAZOL-3-YLAMINE(126208-61-5)

Safety Data

• Hazard Codes: Xn
• Statements: 22
• Hazardous Substances Data: 126208-61-5(Hazardous Substances Data)

Usage

General Description

5-tert-Butyl-2-phenyl-2H-pyrazol-3-ylamine is a chemical compound with the molecular formula C13H18N4. It is a pyrazole derivative that contains a tert-butyl group and a phenyl group attached to the pyrazole ring. 5-tert-Butyl-2-phenyl-2H-pyrazol-3-ylamine is commonly used in the pharmaceutical and chemical industries for its various applications, including as a building block for the synthesis of other organic compounds. It may also have potential biological activities, making it of interest for medicinal chemistry research. Additionally, 5-tert-Butyl-2-phenyl-2H-pyrazol-3-ylamine is known for its stability and relatively low toxicity, making it a widely used reagent in organic synthesis.

InChI:InChI=1/C13H17N3/c1-13(2,3)11-9-12(14)16(15-11)10-7-5-4-6-8-10/h4-9H,14H2,1-3H3

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Downstream Products

• 1257533-45-1 N′-[4-formyl-3-t-butyl-1-phenyl-1H-pyrazol-5-yl]-N,N-dimethylmethanimidamide 

Relevant articles and documents

Synthesis, structural characterization and theoretical studies of a new Schiff base 4-(((3-(tert-Butyl)-(1-phenyl)pyrazol-5-yl) imino)methyl)phenol

4-(((3-(tert-Butyl)-(1-phenyl)pyrazol-5-yl)imino)methyl)phenol (4-OHFPz) was synthesized and characterized by FT-IR, MS, NMR, and single-crystal X-ray diffraction. Optimization of molecular geometry, vibrational frequencies, and chemical shifts were calculated by using the methods of density functional theory (DFT) with B3LYP and B3PW91 as functionals and Hartree-Fock with 6-311G++(d,p) as basis set using the GAUSSIAN 09 program package. With the VEDA 4 software, the vibrational frequencies were assigned in terms of the potential energy distribution (PED). The equilibrium geometries calculated by all methods were compared with X-ray diffraction results, indicating that the theoretical results matches well with the experimental ones. The data obtained from the vibrational analysis and the calculated NMR are consistent with the experimental spectra.

Visible-light enabled C4-thiocyanation of pyrazoles by graphite-phase carbon nitride (g-C3N4)

Thiocyanation is an important and effective way to form C[sbnd]S bonds in organic synthetic methodology. Especially, thiocyanation of pyrazole attracts the attention of many researchers because sulfur-containing compounds are widely applied in many crucial fields such as organic materials, agrochemistry, nanotechnology, etc. Herein, we described A rapid metal- and additive-free method for C(sp2)-H thiocyanation of pyrazoles under visible light at room temperature by using a sustainable catalyst of graphite-phase carbon nitride (g-C3N4) and a thiocyanating agent of ammonium thiocyanate. The method presents many advantages, such as usage of eco-friendly photoredox catalyst, a wide range of substrates and a good yield of products, etc.

Microwave synthesis of 1-aryl-1H-pyrazole-5-amines

A microwave-mediated synthesis of 1H-pyrazole-5-amines utilizing 1 M HCl at 150 °C was developed in order to provide products in a matter of minutes with minimal purification. Most reactions are complete in only 10 min and can be isolated via a simple filtration without the need for further purification by column chromatography or recrystallization. This method tolerates a range of functional groups and can be performed on milligram to gram scales.