ChemicalBook--->CAS DataBase List--->22867-74-9

22867-74-9

22867-74-9 Structure

22867-74-9 Structure
IdentificationMore
[Name]

7-Ethylindole
[CAS]

22867-74-9
[Synonyms]

7-ETHYLINDOLE
TIMTEC-BB SBB007573
7-ETHYL-INDOL
7-ETHYLINDOLE(ETODOLAC INTERMEDIATE)
7-Ethylindole,98+%
7-ETHYLCAMPTOTHECIN
[EINECS(EC#)]

682-584-2
[Molecular Formula]

C10H11N
[MDL Number]

MFCD00143514
[Molecular Weight]

145.2
[MOL File]

22867-74-9.mol
Chemical PropertiesBack Directory
[Appearance]

clear yellow to red-brown liquid
[Melting point ]

82.5°C (estimate)
[Boiling point ]

230 °C
[density ]

1.058 g/mL at 20 °C(lit.)
[refractive index ]

n20/D 1.603
[Fp ]

230°C
[storage temp. ]

Sealed in dry,2-8°C
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Oil
[pka]

17.30±0.30(Predicted)
[color ]

Clear Colorless to Light Brown
[Specific Gravity]

1.058
[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
[InChIKey]

PIIZLMYXLGYWTN-UHFFFAOYSA-N
[SMILES]

N1C2=C(C=CC=C2CC)C=C1
[CAS DataBase Reference]

22867-74-9(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Safety Statements ]

S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[HS Code ]

29339980
Hazard InformationBack Directory
[Chemical Properties]

clear yellow to red-brown liquid
[Uses]

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.
[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.
Spectrum DetailBack Directory
[Spectrum Detail]

7-Ethylindole(22867-74-9)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

7-Ethylindole, 97%(22867-74-9)
[Alfa Aesar]

7-Ethylindole, 98+%(22867-74-9)
[Sigma Aldrich]

22867-74-9(sigmaaldrich)
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