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HomeProduct name list4-Acetoxyindole

4-Acetoxyindole

Synonym(s):4-Acetoxyindole

  • CAS NO.:5585-96-6
  • Empirical Formula: C10H9NO2
  • Molecular Weight: 175.18
  • MDL number: MFCD00010678
  • EINECS: 1312995-182-4
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-06-18 13:26:42
4-Acetoxyindole Structural

What is 4-Acetoxyindole?

Description

4-acetoxylindole is also known as 4-Indolyl acetate. It can be used as standards of the reverse phase HPLC during separation of small molecules. It can also be used as reactant during the preparation of inhibitors of HIV-attachment, prostanoid EP3 antagonist, indolyl-nitroalkanes and psilocybin.

The Uses of 4-Acetoxyindole

4-Acetoxyindole is a useful intermediate for organic synthesis of Psilocine and Psilocine analogs.

The Uses of 4-Acetoxyindole

Reactant for preparation of:• ;Inhibitors of HIV-1 attachment1• ;Prostanoid EP3 receptor antagonist, as a novel antiplatelet agent2• ;Indolyl-nitroalkanes via N-bromosuccinimide catalyzed synthesis3• ;Psilocybin as a medicinal agent4

The Uses of 4-Acetoxyindole

Reactant for preparation of:

  • Inhibitors of HIV-1 attachment
  • Prostanoid EP3 receptor antagonist, as a novel antiplatelet agent
  • Indolyl-nitroalkanes via N-bromosuccinimide catalyzed synthesis
  • Psilocybin as a medicinal agent

General Description

4-Acetoxyindole is a chromophore that belongs to the pyrrole family of compounds. It has been shown to react with an ionic liquid under acidic conditions to form a protonated intermediate, which can be deprotonated by a nucleophile. This reaction yields an acetate anion and a fluorescing product. 4-Acetoxyindole also reacts with deuterium gas, yielding an acetate, a deuterium atom, and fluorescing product. The reaction is reversible and the yield of the product depends on the concentration of the reactants. 4-Acetoxyindole has strong carbonyl groups that make it reactive towards other functional groups. These reactions are useful for synthesizing heterocycles such as indoles and isoquinolines.

References

http://www.sigmaaldrich.com/catalog/product/aldrich/259047?lang=en&region=US
https://pubchem.ncbi.nlm.nih.gov/compound/4-Acetoxyindole

Properties of 4-Acetoxyindole

Melting point: 100-102°C
Boiling point: 339.1±15.0 °C(Predicted)
Density  1?+-.0.06 g/cm3(Predicted)
storage temp.  2-8°C
solubility  Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
form  Solid
pka 16.38±0.30(Predicted)
color  Off-White to Beige
InChI InChI=1S/C10H9NO2/c1-7(12)13-10-4-2-3-9-8(10)5-6-11-9/h2-6,11H,1H3
CAS DataBase Reference 5585-96-6(CAS DataBase Reference)

Safety information for 4-Acetoxyindole

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
H332:Acute toxicity,inhalation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P280:Wear protective gloves/protective clothing/eye protection/face protection.
P310:Immediately call a POISON CENTER or doctor/physician.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Computed Descriptors for 4-Acetoxyindole

InChIKey ZXDMUHFTJWEDEF-UHFFFAOYSA-N
SMILES N1C2=C(C(OC(=O)C)=CC=C2)C=C1

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