82560-12-1

Basic information

• Product Name: 3-AMINO-5-TERT-BUTYLPYRAZOLE
• Synonyms: 5-AMINO-3-T-BUTYLPYRAZOLE;5-AMINO-3-TERT-BUTYLPYRAZOLE;3-AMINO-5-TERT-BUTYLPYRAZOLE;3-(TERT-BUTYL)-1H-PYRAZOL-5-AMINE;BUTTPARK 30\09-75;IFLAB-BB F2108-0129;5-tert-Butyl-1H-pyrazol-3-amine;3-Amino-5-tert-butyl-1H-pyrazole, 98%
• CAS NO: 82560-12-1
• Molecular Formula: C₇H₁₃N₃
• Molecular Weight: 139.2
• EINECS: 450-360-1
• Product Categories: Amines;Pyrazoles & Triazoles;Pyrazoles & Triazoles
• Mol File: 82560-12-1.mol
• Article Data: 34

Chemical Properties

• Melting Point: 60 °C
• Boiling Point: 302.1 °C at 760 mmHg
• Flash Point: 161.9 °C
• Appearance: /
• Density: 1.071 g/cm³
• Vapor Pressure: 0.00101mmHg at 25°C
• Refractive Index: 1.55
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility: soluble in Methanol
• PKA: 16.08±0.10(Predicted)
• CAS DataBase Reference: 3-AMINO-5-TERT-BUTYLPYRAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-AMINO-5-TERT-BUTYLPYRAZOLE(82560-12-1)
• EPA Substance Registry System: 3-AMINO-5-TERT-BUTYLPYRAZOLE(82560-12-1)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 22
• Safety Statements: 24/25
• WGK Germany: 3
• Hazardous Substances Data: 82560-12-1(Hazardous Substances Data)

Usage

General Description

3-Amino-5-tert-butylpyrazole is a chemical compound with the molecular formula C7H12N4. It is a pyrazole derivative with a tert-butyl group attached to the 5th carbon atom and an amino group attached to the 3rd carbon atom. This chemical is commonly used in the synthesis of pharmaceuticals and agrochemicals, as well as in organic and medicinal chemistry research. It is also utilized as a building block in the creation of various functional molecules due to its versatile reactivity. 3-Amino-5-tert-butylpyrazole may also have potential applications in the field of material science and drug discovery due to its unique chemical structure and properties.

InChI:InChI=1/C7H13N3/c1-7(2,3)5-4-6(8)10-9-5/h4H,1-3H3,(H3,8,9,10)

Upstream product

• 59997-51-2 trimethylacetylacetonitrile 
• 3282-30-2 pivaloyl chloride 
• 598-98-1 Methyl pivalate 
• 7803-57-8 hydrazine hydrate 
• 5469-26-1 1-Bromopinacolon 
• 6140-61-0 4,4-dimethyl-5-oxopentanenitrile 
• 3938-95-2 2,2-dimethyl-propanoic acid ethyl ester 

Downstream Products

• 127056-76-2 N-(3-t-butyl-1H-pyrazol-5-yl)-2-methyl-4-pentenamide 
• 151914-79-3 methyl 1-(3-tert-butyl-1H-pyrazol-5-yl)-1H-1,2,3-triazole-4-carboxylate 
• 111005-15-3 3-benzamido-5-tert-butylpyrazole 
• 160654-33-1 (Z)-5-Amino-3-tert-butyl-1-<1-hydroximino-3-(4-nitrophenoxy)propyl>-1H-pyrazol 
• 160654-31-9 (Z)-5-Amino-3-tert-butyl-1-(1-hydroximino-3-phthalimidopropyl)-1H-pyrazol 
• 160654-32-0 (Z)-5-Amino-3-tert-butyl-1-(1-hydroximino-2-methyl-3-phthalimidopropyl)-1H-pyrazol 
• 173678-25-6 6-Acetyl-2-(1,1-dimethylethyl)-7-methylpyrazolo<1,5-a>pyrimidine 
• 193549-97-2 1-(5-tert-Butyl-2H-pyrazol-3-yl)-1H-[1,2,3]triazole-4-carboxylic acid ethyl ester 
• 151914-76-0 5-azido-3-tert-butylpyrazole 
• 177727-25-2 1,5-diamino-5-tert-butylpyrazole 
• 110086-11-8 3-amino-5-tert-butyl-4-chloropyrazole 

Relevant articles and documents

Synthesis, structural characterization, and theoretical studies of new pyrazole (E)-2-{[(5-(tert-butyl)-1H-pyrazol-3-yl)imino]methyl}phenol and (E)-2-{[(1-(4-bromophenyl)-3-(tert-butyl)-1H-pyrazol-5-yl]imino]methyl}phenol

In this paper, theoretical and experimental studies of two new Schiff bases were performed. The (E)-2-{[(5-(tert-butyl)-1H-pyrazol-3-yl)imino]methyl}phenol (3) and (E)-2-{[(1-(4-bromophenyl)-3-(tert-butyl)-1H-pyrazol-5-yl]imino]methyl}phenol (5)compounds were characterized by spectroscopic techniques, (i.e. MS, NMR, FT–IR, UV–vis, and single-crystal X–ray diffraction). The molecular geometry of both compounds in the ground state, vibrational frequencies, and chemical shift were calculated by using the functional density theory method, with B3LYP as functional and 6-31G** as basis set, using the GAUSSIAN 09 program package. With the VEDA 4 program, the vibrational frequencies were allocated in terms of potential energy distribution (PED). In this paper, theoretical and experimental studies of two new Schiff bases were performed. The (E)-2-{[(5-(tert-butyl)-1H-pyrazol-3-yl)imino]methyl}phenol (3) and (E)-2-{[(1-(4-bromophenyl)-3-(tert-butyl)-1H-pyrazol-5-yl]imino]methyl}phenol (5) compounds were characterized by spectroscopic techniques, (i.e. MS, NMR, FT-IR, UV–vis, and single-crystal X-ray diffraction). The molecular geometry of both compounds in the ground state, vibrational frequencies, and chemical shift were calculated by using the functional density theory method, with B3LYP as functional and 6-31G** as basis set, using the GAUSSIAN 09 program package. With the VEDA 4 program, the vibrational frequencies were allocated in terms of potential energy distribution (PED). Molecular stabilities were determined in terms of softness and hardness, and the values were determined from the energies of HOMO and LUMO orbitals. Remarkably, good agreements between the calculated IR, NMR and UV–vis spectra in comparison to those experimental ones, were found.

Identification of TRD-35 as Potent and Selective DRAK2 Inhibitor

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Novel pyrimidine derivatives, preparation method thereof, and pharmaceutical composition for use in preventing or treating DRAK relating diseases containing the same as an active ingredient

The present invention relates to a novel pyrimidine derivative, a production method thereof, and a pharmaceutical composition for preventing or treating death-associated protein related apoptosis inducing protein kinase (DRAK)-associated diseases containing the same as an active ingredient. According to the present invention, the novel pyrimidine derivative, an optical isomer thereof, or a pharmaceutically acceptable salt thereof exhibits effective inhibitory activities on DRAK, and thus can be useful for treating diseases caused by DRAK such as cancer and tumor.COPYRIGHT KIPO 2017