4498-72-0

Basic information

• Product Name: 1-(1H-INDAZOL-3-YL)ETHANONE
• Synonyms: 1-(1H-INDAZOL-3-YL)ETHANONE;Ethanone, 1-(1H-indazol-3-yl)- (9CI);3-ACETYLINDAZOLE;1-(1H-Indazole-3-yl)ethanone;3-Acetyl-1H-indazole;1-(indazol-3-yl)ethan-1-one;Ethanone, 1-(1H-indazol-3-yl)-;3-Acetylindazole(WX626026)
• CAS NO: 4498-72-0
• Molecular Formula: C₉H₈N₂O
• Molecular Weight: 160.17
• Product Categories: ACETYLGROUP
• Mol File: 4498-72-0.mol
• Article Data: 2

Chemical Properties

• Melting Point: 182 °C
• Boiling Point: 348.843 °C at 760 mmHg
• Flash Point: 168.831 °C
• Appearance: /
• Density: 1.265 g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.658
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 11.87±0.40(Predicted)
• CAS DataBase Reference: 1-(1H-INDAZOL-3-YL)ETHANONE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(1H-INDAZOL-3-YL)ETHANONE(4498-72-0)
• EPA Substance Registry System: 1-(1H-INDAZOL-3-YL)ETHANONE(4498-72-0)

Safety Data

• Hazard Codes: Xn
• Statements: 22
• Hazardous Substances Data: 4498-72-0(Hazardous Substances Data)

Usage

Synthesis Reference(s)

Synthesis, p. 937, 1992 DOI: 10.1055/s-1992-26268

InChI:InChI=1/C9H8N2O/c1-6(12)9-7-4-2-3-5-8(7)10-11-9/h2-5H,1H3,(H,10,11)

Upstream product

• 83-34-1 3-Methylindole 
• 917-64-6 methyl magnesium iodide 
• 50264-88-5 indazole-3-carbonitrile 

Downstream Products

• 1415509-35-1 C₂₀H₂₀N₆O₂S 
• 1415509-36-2 C₂₃H₁₉N₇O₂S 
• 1415509-37-3 C₂₃H₁₉N₇O₂S 
• 1415509-17-9 C₁₈H₁₅N₅O 
• 1415509-18-0 C₁₈H₁₅N₅O 
• 1415509-19-1 C₁₉H₁₇N₅ 
• 1415509-20-4 C₁₉H₁₇N₅ 
• 1415509-21-5 C₁₈H₁₄ClN₅ 
• 1415509-22-6 C₁₈H₁₄ClN₅ 
• 1415509-23-7 C₁₈H₁₄N₆O₂ 
• 1415509-24-8 C₁₈H₁₄N₆O₂ 
• 1415509-25-9 C₁₈H₁₆N₆O₂S 
• 1415509-26-0 C₁₈H₁₆N₆O₂S 
• 1415509-27-1 C₁₉H₁₈N₆O₂S 

Relevant articles and documents

An optimized procedure for direct access to 1: H -indazole-3-carboxaldehyde derivatives by nitrosation of indoles

Indazole derivatives are currently drawing more and more attention in medicinal chemistry as kinase inhibitors. 1H-indazole-3-carboxaldehydes are key intermediates to access to a variety of polyfunctionalized 3-substituted indazoles. We report here a general access to this motif, based on the nitrosation of indoles in a slightly acidic environment. These very mild conditions allow the conversion of both electron-rich and electron-deficient indoles into 1H-indazole-3-carboxaldehydes.