7-Ethylindole
- CAS NO.:22867-74-9
- Empirical Formula: C10H11N
- Molecular Weight: 145.2
- MDL number: MFCD00143514
- EINECS: 682-584-2
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-03-05 09:49:26
What is 7-Ethylindole?
Chemical properties
clear yellow to red-brown liquid
The Uses of 7-Ethylindole
7-Ethylindole is a useful intermediate for etodolac derivative synthesis. It is also used in preparation of benzoheterocycles using butoxy-dihydrofurans as [4+2] benzannulation reagents.
What are the applications of Application
7-Ethylindole serves as a crucial intermediate for producing pharmaceutical agents. It represents a new addition to the liquid organic hydrogen carrier (LOHC) family, known as 7-ethylindole (7-EID). With a low melting point of -14 °C and a substantial hydrogen content of 5.23 wt%, it stands out among its counterparts. The hydrogenation process of this compound utilized a commercial 5 wt% Ru/Al2O3 catalyst under H2 pressure ranging from 5–8 MPa and temperatures ranging from 120–160 °C. It was observed that the hydrogenation rate correlates positively with the reaction temperature. However, the effect of H2 pressure on the rate was minimal if the pressure exceeded 6 MPa. Complete dehydrogenation of 8H-7-EID to 7-EID was achieved within 270 minutes at 190 °C. The liberated H2 exhibited high purity, meeting the requirements of proton exchange membrane fuel cells[1].
References
[1] Zhiwen Chen. “7-ethylindole: A new efficient liquid organic hydrogen carrier with fast kinetics.” International Journal of Hydrogen Energy 43 28 (2018): Pages 12688-12696.
Properties of 7-Ethylindole
Melting point: | 82.5°C (estimate) |
Boiling point: | 230 °C |
Density | 1.058 g/mL at 20 °C(lit.) |
refractive index | n |
Flash point: | 230°C |
storage temp. | Sealed in dry,2-8°C |
solubility | Chloroform (Slightly), Methanol (Slightly) |
form | Oil |
pka | 17.30±0.30(Predicted) |
Specific Gravity | 1.058 |
color | Clear Colorless to Light Brown |
Water Solubility | INSOLUBLE |
BRN | 1238356 |
InChI | InChI=1S/C10H11N/c1-2-8-4-3-5-9-6-7-11-10(8)9/h3-7,11H,2H2,1H3 |
CAS DataBase Reference | 22867-74-9(CAS DataBase Reference) |
Safety information for 7-Ethylindole
Signal word | Warning |
Pictogram(s) |
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. 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 7-Ethylindole
InChIKey | PIIZLMYXLGYWTN-UHFFFAOYSA-N |
SMILES | N1C2=C(C=CC=C2CC)C=C1 |
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