201227-39-6

Basic information

• Product Name: 5-Bromo-1H-indazole-3-carbonitrile
• Synonyms: 5-BROMO-1H-INDAZOLE-3-CARBOXYNITRILE;5-BROMO-1H-INDAZOLE-3-CARBONITRILE;5-BROMO-3-CYANOINDAZOLE;1H-INDAZOLE-3-CARBONITRILE, 5-BROMO-;5-Bromo-3-cyano-1H-indazole;3-Methyl-1H-indazole hydrochloride;5-Bromo-indazole-3-carbonitrile
• CAS NO: 201227-39-6
• Molecular Formula: C₈H₄BrN₃
• Molecular Weight: 222.04
• Product Categories: Indazole
• Mol File: 201227-39-6.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 425.268 °C at 760 mmHg
• Flash Point: 210.995 °C
• Appearance: /
• Density: 1.852 g/cm³
• Refractive Index: 1.739
• Storage Temp.: 2-8°C
• PKA: 9.61±0.40(Predicted)
• CAS DataBase Reference: 5-Bromo-1H-indazole-3-carbonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 5-Bromo-1H-indazole-3-carbonitrile(201227-39-6)
• EPA Substance Registry System: 5-Bromo-1H-indazole-3-carbonitrile(201227-39-6)

Safety Data

• Hazardous Substances Data: 201227-39-6(Hazardous Substances Data)

Usage

General Description

5-Bromo-1H-indazole-3-carbonitrile is a chemical compound that belongs to the class of organic compounds known as indazoles, which are aromatic heterocyclic compounds containing a pyrazole ring fused to a benzene ring. This particular compound is characterized by the additional bromine atom and a carbonitrile group. Its chemical formula is C8H4BrN3. In terms of its potential uses, 5-Bromo-1H-indazole-3-carbonitrile is commonly employed as an intermediate in the synthesis of more complex chemical compounds, particularly in the pharmaceutical industry. However, information about its toxicity and safety is limited, so its handling requires standard laboratory safety procedures.

InChI:InChI=1/C8H4BrN3/c9-5-1-2-7-6(3-5)8(4-10)12-11-7/h1-3H,(H,11,12)

Upstream product

• 2973-50-4 2-aminophenylacetonitrile 
• 882855-95-0 2-(2-amino-5-bromophenyl)acetonitrile 
• 610-66-2 2-nitro-benzeneacetonitrile 

Downstream Products

• 1190319-99-3 methyl 3-cyano-1H-indazole-5-carboxylate 
• 1903768-17-1 (2S,4R)-1-(2-(3-acetyl-5-(2-methylpyrimidin-5-yl)-1H-indazol-1-yl)acetyl)-N-(6-bromopyridin-2-yl)-4-fluoropyrrolidine-2-carboxamide 

Relevant articles and documents

Synthetic method of 4-fluoroindazole 3-carbonitrile or derivative thereof

The invention is applicable to the technical field of chemical synthesis, and provides a synthesis method of 4-fluoroindazole 3-carbonitrile or derivatives thereof, which comprises the following steps: reacting 2-fluoro-6-nitrophenylacetaldehyde, ethanol, sodium bicarbonate, hydroxylamine hydrochloride and water to obtain 2-fluoro-6-nitrophenylethyloxime; reacting 2-fluoro-6-nitroacetoxime with acetic anhydride to obtain 2-fluoro-6-nitrophenylacetonitrile; reacting 2-fluoro-6-nitrophenylacetonitrile, tetrahydrofuran, methanol, water, ammonium chloride and iron powder, and reacting with glacialacetic acid and acetic anhydride to obtain 2-acetylamino-6-fluorophenylacetonitrile; reacting 2-acetylamino-6-fluorophenylacetonitrile, glacial acetic acid, acetic anhydride and isoamyl nitrite, andreacting with ethanol and sodium hydroxide to obtain the 4-fluoroindazole 3-carbonitrile. The synthesis method provided by the invention is mild in reaction condition and easy to operate, and the adopted raw materials are conventional and harmless.

N1-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS

The invention provides a compound of Formula (I) or a pharmaceutically acceptable salt of the compound, wherein R1, R2, R3 and R4 are as described herein; pharmaceutical compositions there-of; and the use thereof in treating diseases, conditions or disorders modulated by the inhibition of an acetyl- CoA carboxylase enzyme(s) in an animal