158001-28-6

Basic information

• Product Name: 5-AMINO-1-(T-BUTYL)PYRAZOLE-4-CARBONITRILE
• Synonyms: 5-AMINO-1-(TERT-BUTYL)PYRAZOLE-4-CARBONITRILE;5-Amino-1-(tert-butyl);BUTTPARK 51\09-68;5-AMINO-1-(T-BUTYL)PYRAZOLE-4-CARBONITRILE
• CAS NO: 158001-28-6
• Molecular Formula: C₈H₁₂N₄
• Molecular Weight: 164.21
• Mol File: 158001-28-6.mol
• Article Data: 18

Chemical Properties

• Melting Point: 92.9-94.5℃
• Boiling Point: 325.7 °C at 760 mmHg
• Flash Point: 150.8 °C
• Appearance: /
• Density: 1.13 g/cm³
• Vapor Pressure: 0.000226mmHg at 25°C
• Refractive Index: 1.573
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• PKA: 0.56±0.10(Predicted)
• CAS DataBase Reference: 5-AMINO-1-(T-BUTYL)PYRAZOLE-4-CARBONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 5-AMINO-1-(T-BUTYL)PYRAZOLE-4-CARBONITRILE(158001-28-6)
• EPA Substance Registry System: 5-AMINO-1-(T-BUTYL)PYRAZOLE-4-CARBONITRILE(158001-28-6)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 158001-28-6(Hazardous Substances Data)

Usage

General Description

5-Amino-1-(t-butyl)pyrazole-4-carbonitrile is a chemical compound with the molecular formula C8H12N4. It is a pyrazole derivative with a t-butyl group and a cyano group attached to the fourth carbon atom. 5-AMINO-1-(T-BUTYL)PYRAZOLE-4-CARBONITRILE is commonly used as an intermediate in the synthesis of various pharmaceuticals and agrochemicals. Its unique molecular structure makes it useful in the development of new drugs and crop protection products. Additionally, it is a versatile building block for the preparation of other organic compounds, making it an important tool for chemical synthesis in the pharmaceutical and agricultural industries.

InChI:InChI=1/C8H12N4/c1-8(2,3)12-7(10)6(4-9)5-11-12/h5H,10H2,1-3H3

Upstream product

• 32064-67-8 tert-butylhydrazine 
• 123-06-8 Ethoxymethylenemalononitrile 
• 7400-27-3 tertbutylhydrazine hydrochloride 

Downstream Products

• 862728-60-7 1-(1,1-dimethylethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine 
• 1151650-35-9 C₁₅H₁₅ClFN₅O 
• 1151650-25-7 1-(tert-butyl)-3-(m-tolyloxy)-1H-pyrazolo[3,4-d]pyrimidin-4-amine 
• 1151650-28-0 1-(tert-butyl)-3-(3-methoxyphenoxy)-1H-pyrazolo[3,4-d]pyrimidin-4-amine 
• 1151650-43-9 3-(3-bromophenoxy)-1-(tert-butyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine 
• 1151650-52-0 1-(tert-butyl)-3-(3-(trifluoromethyl)phenoxy)-1H-pyrazolo[3,4-d]pyrimidin-4-amine 
• 1151650-34-8 1-(tert-butyl)-3-(3,5-difluorophenoxy)-1H-pyrazolo[3,4-d]pyrimidin-4-amine 
• 1151650-24-6 1-(tert-butyl)-3-(3-chlorophenoxy)-1H-pyrazolo[3,4-d]pyrimidin-4-amine 
• 221244-07-1 1-(tert-butyl)-3-(4-(tert-butyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine 
• 956025-63-1 4-(4-amino-1-(tert-butyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl)benzonitrile 
• 221243-82-9 1-(tert-butyl)-3-(1-naphthyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine 
• 1135429-05-8 1-tert-butyl-3-(4-vinylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine 
• 338391-69-8 1-tert-butyl-3-(4-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine 

Relevant articles and documents

PET/CT tracer agent with selectivity to different lung cancer cells as well as preparation method and application of PET/CT tracer agent

The invention provides a PET/CT tracer agent with selectivity to different lung cancer cells as well as a preparation method and application of the PET/CT tracer agent. The PET/CT tracer agent is a compound represented by a formula I shown in the specification, or a salt or stereoisomer of the compound, wherein R1 and R2 are respectively and independently selected from H or C1-C5 alkyl; and X is independently selected from C, F, F, O or N. The F-PET/CT tracer agent prepared by the method can be selectively taken in by the different carcinogenic driving gene mutant lungcancer cells; test results show that the F-PET/CT tracer agent is expected to be imaged in an NRas Q61K tumor model in a high-quality manner and has certain selectivity for the different carcinogenic driving gene mutant lung cancers, and different from any non-specific F-FDG which can cause high-concentration imaging when glucose metabolism is increased, the tracer agent is expected to make up for the deficiency of imaging by singly using the F-FDG; therefore, the F-PET/CT tracer agent provided by the invention is expected to be applied to PET/CT iconography, and changes the situation of lack of tracer agents on lung cancer.

Compounds with anti-inflammatory effect, and preparation method and application thereof

The invention provides compounds as shown in a formula I which is described in the description, or salts thereof. Experimental results show that the compounds provided by the invention, specifically acompound 7 and a compound 9, can effectively inhibit the release level of an inflammatory factor IL-6; and the compound 9 can inhibit the protein level of phosphorylated NF-kB p65, the protein levelof phosphorylated Akt, the protein level of phosphorylated STAT3 and the protein level of an adhesion molecule ICAM-1. The compounds provided by the invention have good application prospect in preparation of drugs used for treating inflammatory diseases.

Supermacrocyclic Assemblies by Hydrogen-Bond Codes of C7-Phenol Pyrazolo and Pyrrolo Derivatives of Adenine

Hydrogen bond (HB) mediated base pair motifs are versatile scaffolds of diverse supramolecular constructs. Here, we report that two new four- and six-membered supermacrocyclic assemblies with intriguing geometries could self-assemble from two new adenine derivatives, APN (1) and APC (2). The conversion of a conventional HB acceptor, N8 of 1, to a non-conventional HB donor, C8?H of 2, had a pronounced impact on the overall intricate HB network and self-assembly patterns, epitomizing the subtleties in design and exploitation of such base-pair motifs as promising tectons for building supramolecular architectures.