1006442-51-8

Basic information

• Product Name: 1-(2,2-Difluoroethyl)-4-nitro-1H-pyrazole
• Synonyms: 1-(2,2-Difluoroethyl)-4-nitro-1H-pyrazole;1H-Pyrazole, 1-(2,2-difluoroethyl)-4-nitro-
• CAS NO: 1006442-51-8
• Molecular Formula: C₅H₅F₂N₃O₂
• Molecular Weight: 177.1089064
• Mol File: 1006442-51-8.mol
• Article Data: 10

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 1-(2,2-Difluoroethyl)-4-nitro-1H-pyrazole(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(2,2-Difluoroethyl)-4-nitro-1H-pyrazole(1006442-51-8)
• EPA Substance Registry System: 1-(2,2-Difluoroethyl)-4-nitro-1H-pyrazole(1006442-51-8)

Safety Data

• Hazardous Substances Data: 1006442-51-8(Hazardous Substances Data)

Usage

Description

1-(2,2-difluoroethyl)-4-nitro-1H-pyrazole is a chemical compound characterized by its molecular formula C5H5F2N3O2. It is a nitro-substituted pyrazole derivative that features fluorine and nitro groups, which contribute to its reactivity and potential applications in organic synthesis. 1-(2,2-difluoroethyl)-4-nitro-1H-pyrazole is primarily utilized as an intermediate in the synthesis of pharmaceuticals and agrochemicals, and its unique structure and properties may also offer potential applications in the fields of medicinal chemistry and agrochemical development. However, due to its potential toxicity and reactivity, it is crucial to handle this compound with caution.

Uses

Used in Pharmaceutical Synthesis:
1-(2,2-difluoroethyl)-4-nitro-1H-pyrazole is used as an intermediate in the pharmaceutical industry for the synthesis of various drugs. Its unique structure, which includes difluoroethyl and nitro groups, allows for the creation of a wide range of pharmaceutical compounds with different therapeutic properties.
Used in Agrochemical Development:
In the agrochemical industry, 1-(2,2-difluoroethyl)-4-nitro-1H-pyrazole is employed as an intermediate in the development of agrochemicals. Its reactivity and the presence of functional groups make it a valuable component in the synthesis of compounds used in agriculture for pest control, crop protection, and other related applications.
Used in Medicinal Chemistry:
1-(2,2-difluoroethyl)-4-nitro-1H-pyrazole may have potential applications in medicinal chemistry due to its unique structure and properties. Researchers can leverage its reactivity to design and synthesize novel compounds with potential therapeutic effects for various medical conditions.
Used in Organic Synthesis:
1-(2,2-difluoroethyl)-4-nitro-1H-pyrazole is also used in organic synthesis, where its difluoroethyl and nitro groups can be exploited to create a variety of organic molecules with different functionalities and applications across various industries.

Upstream product

• 2075-46-9 4-nitro-1H-pyrazole 
• 359-13-7 difluoroethanol 
• 598-39-0 1,1-difluoro-2-iodoethane 
• 74427-22-8 2,2-difluoroethyl triflate 
• 338-65-8 1-chloro-2,2-difluoroethane 

Downstream Products

• 1006333-08-9 1-(2,2-difluoroethyl)-1H-pyrazol-4-ylamine 

Relevant articles and documents

N-(HETEROARYL) QUINAZOLIN-2-AMINE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF

The present invention is directed to substituted certain N-(heteroaryl)quinazolin-2-amine derivatives of Formula (I): and pharmaceutically acceptable salts thereof, wherein J, R3, and R4, are as defined herein, which are potent inhib

Design, synthesis and biological evaluation of novel 7H-pyrrolo[2,3-d]pyrimidine derivatives as potential FAK inhibitors and anticancer agents

A series of 7H-pyrrolo[2,3-d]pyrimidine derivatives possessing a dimethylphosphine oxide moiety were designed, synthesized and evaluated as novel Focal adhesion kinase (FAK) inhibitors. Most compounds potently suppressed the enzymatic activities of FAK, with IC50 values in the 10?8–10?9 M range, and potently inhibited the proliferation of breast (MDA-MB-231) and lung (A549) cancer cell lines. The representative compound 25b exhibited potent enzyme inhibition (IC50 = 5.4 nM) and good selectivity when tested on a panel of 26 kinases. 25b exhibited antiproliferative activity against A549 cells (IC50 = 3.2 μM) and relatively less cytotoxicity to a normal human cell line HK2. Compound 25b also induced apoptosis and suppressed the migration of A549 cells in a concentration-dependent manner. Further profiling of compound 25b revealed it had good metabolic stability in mouse, rat and human liver microsomes in vitro and showed weak inhibitory activity against various subtypes of human cytochrome P450. The docking study of compound 25b was performed to elucidate its possible binding modes and to provide a structural basis for further structure-guided design of FAK inhibitors.

Design and synthesis of novel pyrimidine analogs as highly selective, non-covalent BTK inhibitors

BTK is a promising target for the treatment of multiple diseases such as B cell malignances, asthma, and rheumatoid arthritis. Here, we report the discovery of a series of novel pyrimidine analogs as potent, highly selective, non-covalent inhibitors of BTK. Compound 25d demonstrated higher affinity to an unactivated conformation of BTK that resulted in an excellent kinase selectivity. Compound 25d showed a good oral bioavailability in mice, and significantly inhibits the PCA reaction in mice.