23856-20-4

Basic information

• Product Name: 1-BENZYL-5-NITRO-1H-INDAZOLE
• Synonyms: 1-BENZYL-5-NITRO-1H-INDAZOLE;1-BENZYL-5-NITRO-1H-INDAZOLE, 95+%;1-benzyl-5-nitroindazole
• CAS NO: 23856-20-4
• Molecular Formula: C₁₄H₁₁N₃O₂
• Molecular Weight: 253.26
• Mol File: 23856-20-4.mol
• Article Data: 12

Chemical Properties

• Boiling Point: 451.084°C at 760 mmHg
• Flash Point: 226.608°C
• Appearance: /
• Density: 1.31g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.668
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 1-BENZYL-5-NITRO-1H-INDAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-BENZYL-5-NITRO-1H-INDAZOLE(23856-20-4)
• EPA Substance Registry System: 1-BENZYL-5-NITRO-1H-INDAZOLE(23856-20-4)

Safety Data

• Hazardous Substances Data: 23856-20-4(Hazardous Substances Data)

Usage

Description

1-Benzyl-5-nitro-1H-indazole, a chemical compound with the molecular formula C15H12N4O2, is a benzene derivative characterized by the presence of a nitro group and an indazole ring structure. 1-BENZYL-5-NITRO-1H-INDAZOLE, known for its unique structural and chemical properties, holds potential for a variety of applications across different industries, including organic synthesis, pharmaceuticals, and agrochemicals. Its versatility as a building block in the production of various chemicals and as an intermediate in the synthesis of pharmaceutical drugs makes it a compound of significant interest for further research and development.

Uses

Used in Organic Synthesis:
1-Benzyl-5-nitro-1H-indazole is used as a building block in organic synthesis for the creation of a range of chemical compounds. Its unique structure allows for the formation of new molecules with potential applications in various fields.
Used in Pharmaceutical Industry:
1-Benzyl-5-nitro-1H-indazole is utilized as an intermediate in the synthesis of pharmaceutical drugs. Its chemical properties make it a valuable component in the development of new medications, potentially contributing to advancements in healthcare.
Used in Agrochemicals:
In the agrochemical industry, 1-Benzyl-5-nitro-1H-indazole may be employed in the development of new pesticides or other agricultural chemicals. Its potential role in this sector underscores its broad applicability in chemical innovation.
Each of these uses highlights the compound's adaptability and the importance of continued research into its properties and potential applications. As the scientific community explores new ways to harness the capabilities of 1-benzyl-5-nitro-1H-indazole, its role in various industries is likely to expand, offering innovative solutions to existing challenges.

InChI:InChI=1/C14H11N3O2/c18-17(19)13-6-7-14-12(8-13)9-15-16(14)10-11-4-2-1-3-5-11/h1-9H,10H2

Upstream product

• 100-39-0 benzyl bromide 
• 5401-94-5 5-nitroindazole 
• 100-44-7 benzyl chloride 
• 27996-87-8 2-fluoro-5-nitrobenzaldehye 
• 555-96-4 Benzylhydrazine 
• 451459-99-7 1-benzyl-5-nitro-1H-indazol-3-amine 
• 16588-02-6 4-chloro-3-cyanonitrobenzene 
• 1073-62-7 N-benzylhydrazine hydrochloride 

Downstream Products

• 202197-40-8 (1-benzyl-1H-indazol-5-yl)-(6-iodoquinazolin-4-yl)-amine hydrochloride 
• 202273-09-4 (1-benzyl-1H-indazol-5-yl)-(6-chloropyrido[3,4-d]pyrimidin-4-yl)-amine hydrochloride 
• 202197-79-3 (1-benzyl-1H-indazol-5-yl)-(7-iodoquinazolin-4-yl)-amine hydrochloride 
• 202196-53-0 (1-benzyl-1H-indazol-5-yl)-(6-(5-(1,3-dioxolan-2-yl)-furan-2-yl)-quinazolin-4-yl)-amine 
• 202197-39-5 (1-benzyl-1H-indazol-5-yl)-(6-bromoquinazolin-4-yl)-amine 
• 1338250-44-4 C₂₉H₂₇N₇ 
• 1338250-40-0 C₃₀H₂₇N₇ 
• 1338250-36-4 C₂₉H₂₅N₇O 
• 202272-68-2 GW2974 
• 202272-67-1 (1-benzyl-1H-indazol-5-yl)-(6-chloropyrido[3,4-d]pyrimidin-4-yl)-amine 
• 848133-59-5 6-amino-4-(1-benzyl-1H-indazol-5-ylamino)-7-methoxy-quinoline-3-carbonitrile 
• 23856-21-5 1-benzyl-1H-indazol-5-ylamine 

Relevant articles and documents

Targeting Her2-insYVMA with Covalent Inhibitors - A Focused Compound Screening and Structure-Based Design Approach

Mutated or amplified Her2 serves as a driver of non-small cell lung cancer or mediates resistance toward the inhibition of its family member epidermal growth factor receptor with small-molecule inhibitors. To date, small-molecule inhibitors targeting Her2 which can be used in clinical routine are lacking, and therefore, the development of novel inhibitors was undertaken. In this study, the well-established pyrrolopyrimidine scaffold was modified with structural motifs identified from a screening campaign with more than 1600 compounds, which were applied against wild-type Her2 and its mutant variant Her2-A775_G776insYVMA. The resulting inhibitors were designed to covalently target a reactive cysteine in the binding site of Her2 and were further optimized by means of structure-based drug design utilizing a set of obtained complex crystal structures. In addition, the analysis of binding kinetics and absorption, distribution, metabolism, and excretion parameters as well as mass spectrometry experiments and western blot analysis substantiated our approach.

Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors

A pharmaceutical formulation comprising the compound of formula

A method for the regioselective synthesis of 1-alkyl-1H-indazoles

A method for the regioselective synthesis of 3-unsubstituted 1-alkyl-1H-indazoles, starting with 2-halobenzonitriles and N-alkylhydrazines, is described. The two-step reaction pathway proceeds through the intermediacy of 1-alkyl-3-amino-1H-indazoles follo