20356-45-0

Basic information

• Product Name: 3-(1H-INDOL-3-YL)-3-OXO-PROPIONITRILE
• Synonyms: 3-(CYANOACETYL)INDOLE;AKOS BBS-00006916;3-(1H-INDOL-3-YL)-3-OXOPROPANENITRILE;3-(1H-INDOL-3-YL)-3-OXO-PROPIONITRILE;3-Cyanoacetyl-1H-indole;β-Oxo-1H-indole-3-propanenitrile;3-(1H-indol-3-yl)-3-keto-propionitrile;3-(2-Cyanoacetyl)-1H-indole
• CAS NO: 20356-45-0
• Molecular Formula: C₁₁H₈N₂O
• Molecular Weight: 184.19
• Product Categories: Heterocyclic Compounds;Heterocycles;Indole Derivatives;Intermediates
• Mol File: 20356-45-0.mol
• Article Data: 36

Chemical Properties

• Melting Point: 241°C
• Boiling Point: 447.2 °C at 760 mmHg
• Flash Point: 224.3 °C
• Appearance: Solid
• Density: 1.285 g/cm³
• Vapor Pressure: 3.43E-08mmHg at 25°C
• Refractive Index: 1.663
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility: soluble in Dimethylformamide
• PKA: 8.39±0.30(Predicted)
• CAS DataBase Reference: 3-(1H-INDOL-3-YL)-3-OXO-PROPIONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(1H-INDOL-3-YL)-3-OXO-PROPIONITRILE(20356-45-0)
• EPA Substance Registry System: 3-(1H-INDOL-3-YL)-3-OXO-PROPIONITRILE(20356-45-0)

Safety Data

• Hazard Codes: Xi,T
• Statements: 25-36
• Safety Statements: 26-45
• RIDADR: UN 3439 6.1/PG III
• HazardClass: IRRITANT
• PackingGroup: III
• Hazardous Substances Data: 20356-45-0(Hazardous Substances Data)

Usage

Description

3-(1H-INDOL-3-YL)-3-OXO-PROPIONITRILE, also known as 3-Cyanoacetylindole, is an organic compound with the chemical formula C12H8N2O. It is a solid substance that is useful in various organic synthesis processes due to its unique chemical structure and properties.

Uses

Used in Organic Synthesis:
3-(1H-INDOL-3-YL)-3-OXO-PROPIONITRILE is used as a synthetic building block for the creation of various organic compounds. Its application in organic synthesis is due to its ability to undergo a range of chemical reactions, such as nucleophilic addition, electrophilic substitution, and cyclization, which can lead to the formation of a diverse array of molecules with potential applications in different industries.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 3-(1H-INDOL-3-YL)-3-OXO-PROPIONITRILE is used as a key intermediate in the synthesis of indole-based drugs. These drugs have potential applications in the treatment of various medical conditions, such as inflammation, pain, and certain types of cancer. The compound's reactivity and structural diversity make it a valuable asset in the development of new therapeutic agents.
Used in Chemical Research:
3-(1H-INDOL-3-YL)-3-OXO-PROPIONITRILE is also utilized in chemical research as a model compound for studying the properties and reactivity of indole-containing molecules. This research can provide valuable insights into the design and synthesis of new indole-based compounds with potential applications in various fields, including pharmaceuticals, materials science, and agrochemistry.

InChI:InChI=1/C11H8N2O/c12-6-5-11(14)9-7-13-10-4-2-1-3-8(9)10/h1-4,7,13H,5H2

Upstream product

• 28755-03-5 3-chloroacetylindole 
• 151-50-8 potassium cyanide 
• 120-72-9 indole 
• 372-09-8 cyanoacetic acid 
• 7062-95-5 potassium 2-cyanoacetate 

Downstream Products

• 1189110-85-7 4-(4-fluorophenyl)-2-(1H-indol-3-yl)-6-methoxypyridine-3,5-dicarbonitrile 
• 1189110-82-4 4-(4-chlorophenyl)-2-(1H-indol-3-yl)-6-methoxypyridine-3,5-dicarbonitrile 
• 1189110-81-3 4-(2-chlorophenyl)-2-(1H-indol-3-yl)-6-methoxypyridine-3,5-dicarbonitrile 
• 1189110-87-9 2-(1H-indol-3-yl)-6-methoxy-4-(3-nitrophenyl)pyridine-3,5-dicarbonitrile 
• 1189110-83-5 4-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)-6-methoxypyridine-3,5-dicarbonitrile 
• 1189110-84-6 4-(4-bromophenyl)-2-(1H-indol-3-yl)-6-methoxypyridine-3,5-dicarbonitrile 
• 1040724-73-9 5-(1H-indol-3-yl)-2H-pyrazol-3-ylamine 
• 1020091-81-9 C₃₀H₁₉N₅O₂ 
• 1020092-69-6 4-(4-methoxyphenyl)-1,4-dihydro-2,6-di(1H-indol-3-yl)pyridine-3,5-dicarbonitrile 
• 1020091-76-2 C₃₀H₁₉N₅O 
• 1020091-79-5 C₂₉H₁₇N₅O 
• 1020091-72-8 C₂₉H₁₇N₅ 
• 1020091-78-4 C₂₉H₁₆N₆O₂ 
• 1020091-77-3 C₂₉H₁₆N₆O₂ 

Relevant articles and documents

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Ketene dithioacetal mediated chemo- and regioselective synthesis of a series of novel 1,3,4,5-tetrasubstituted pyrazole derivatives (4a-l) integrated with a bioactive indole nucleus was achieved by reacting substituted 2-(1-methyl-1H-indole-3-carbonyl)-3,

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