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HomeProduct name list5-Cyanoindole

5-Cyanoindole

Synonym(s):5-Cyanoindole

  • CAS NO.:15861-24-2
  • Empirical Formula: C9H6N2
  • Molecular Weight: 142.16
  • MDL number: MFCD00005669
  • EINECS: 239-986-4
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2025-01-27 09:38:02
5-Cyanoindole Structural

What is 5-Cyanoindole?

Chemical properties

Off-White Crystalline Powder

The Uses of 5-Cyanoindole

Inhibitor of enzyme.

The Uses of 5-Cyanoindole

• ;Reactant for parallel synthesis of dihydroisoquinolines via silver and L-proline co-catalyzed three-component coupling reaction1• ;Reactant for chemoselective and regioselective preparation of benzoyl indoles2• ;Reactant for preparation of novel PPARα/γ dual agonists for potential treatment of metabolic syndrome and IDDM3• ;Reactant for preparation of 4,5-dihydrocyclopenta[c]quinolines by palladium-catalyzed ring-expansion reaction alkynes, using O2 as the oxidant4• ;Reactant for preparation of vinylindoles by hydroarylation of alkynes using indium bromi

The Uses of 5-Cyanoindole

Reactant used for parallel synthesis of dihydroisoquinolines via silver and L-proline co-catalyzed three-component coupling reaction, preparation of novel PPARα/γ dual agonists for potential treatment of metabolic syndrome and IDDM, chemo selective and regioselective preparation of benzoyl indoles, 4,5-dihydrocyclopenta[c]quinolines by palladium-catalyzed ring-expansion reaction alkynes, using O2 as the oxidant and vinylindoles by hydroarylation of alkynes using indium bromide catalyst.

What are the applications of Application

5-Cyanoindole is an enzyme inhibitor

Purification Methods

Dissolve the nitrile in 95% EtOH, boil it in the presence of charcoal, filter, evaporate to a small volume and add enough H2O to cause crystallisation and cool. Recrystallise it directly from aqueous EtOH and dry it in a vacuum. UV has at max 276 nm (log 3.6) in MeOH. [Lindwall & Mantell J Org Chem 18 345 1953, 20 1458 1955, Thesing at al. Chem Ber 95 2205 1962, NMR: Lallemend & Bernath Bull Soc Chim Fr 4091 1970, Beilstein 22/3 V 45.]

Properties of 5-Cyanoindole

Melting point: 106-108 °C(lit.)
Boiling point: 249.72°C (rough estimate)
Density  1.1777 (rough estimate)
refractive index  1.6211 (estimate)
storage temp.  Keep in dark place,Inert atmosphere,Room temperature
solubility  Chloroform, Hexane, Methanol
pka 15.62±0.30(Predicted)
form  Crystalline Powder
color  White to slightly yellow
Water Solubility  Soluble in chloroform, hexane and methanol. Insoluble in water.
Sensitive  Air & Light Sensitive
BRN  116738
CAS DataBase Reference 15861-24-2(CAS DataBase Reference)

Safety information for 5-Cyanoindole

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P271:Use only outdoors or in a well-ventilated area.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P405:Store locked up.
P501:Dispose of contents/container to..…

Computed Descriptors for 5-Cyanoindole

InChIKey YHYLDEVWYOFIJK-UHFFFAOYSA-N

5-Cyanoindole manufacturer

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CEFA CILINAS BIOTICS PVT LTD

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SNR Pharma

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product: 1H-Indole-5-carbonitrile
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ASM Organics

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product: 1H-Indole-5-carbonitrile
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