1-Ethyl-1H-indole-3-carbonitrile

Base Information

Chemical Name:1-Ethyl-1H-indole-3-carbonitrile
CAS No.:128200-45-3
Molecular Formula:C₁₁H₁₀N₂
Molecular Weight:170.214
Hs Code.:2933990090
DSSTox Substance ID:DTXSID30351916
Nikkaji Number:J3.286.055I
Wikidata:Q82128751
Mol file:128200-45-3.mol

Synonyms:1-ETHYL-1H-INDOLE-3-CARBONITRILE;128200-45-3;1-ethylindole-3-carbonitrile;SCHEMBL7292220;DTXSID30351916;MFCD03819703;STL375877;AKOS000266335;BS-35673;CS-0329096;FT-0754121

Suppliers and Price of 1-Ethyl-1H-indole-3-carbonitrile

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
1-Ethyl-1H-indole-3-carbonitrile
100mg
$ 60.00

ChemBridge Corporation
1-ethyl-1H-indole-3-carbonitrile 95%
5 g
$ 133.00

American Custom Chemicals Corporation
1-ETHYL-1H-INDOLE-3-CARBONITRILE 95.00%
5MG
$ 501.80

Total 6 raw suppliers

Chemical Property of 1-Ethyl-1H-indole-3-carbonitrile

Chemical Property:

Vapor Pressure:0.000117mmHg at 25°C
Boiling Point:335.8°C at 760 mmHg
Flash Point:156.9°C
PSA：28.72000
Density:1.06g/cm³
LogP:2.53288
XLogP3:2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:170.084398327
Heavy Atom Count:13
Complexity:228

Purity/Quality:

98% ^*data from raw suppliers

1-Ethyl-1H-indole-3-carbonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCN1C=C(C2=CC=CC=C21)C#N

Technology Process of 1-Ethyl-1H-indole-3-carbonitrile

There total 7 articles about 1-Ethyl-1H-indole-3-carbonitrile which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 91.0%

: 10604-59-8
N-Ethylindole

: 110-18-9
N,N,N,N,-tetramethylethylenediamine

: 128200-45-3
1-ethyl-1H-indole-3-carbonitrile

Guidance literature:: With oxygen; ammonium carbonate; copper dichloride; In dimethyl sulfoxide; at 110 ℃; for 24h; under 760.051 Torr; Schlenk technique;
DOI:10.1039/c3cc49339c

Reference yield: 73.0%

: 10604-59-8
N-Ethylindole

: 68-12-2,33513-42-7
N,N-dimethyl-formamide

: 128200-45-3
1-ethyl-1H-indole-3-carbonitrile

Guidance literature:: With ammonium iodide; SiO₂#dotCu⁽²⁺⁾; oxygen; at 130 ℃; for 12h; regioselective reaction;
DOI:10.1016/j.mcat.2017.11.007

Reference yield: 61.0%

: 201230-82-2
carbon monoxide

: 250355-41-0
1-(2-iodoethyl)-1H-indole-3-carbonitrile

: 128200-45-3
1-ethyl-1H-indole-3-carbonitrile

: 1-oxo-2,3-dihydro-1H-3a-aza-cyclopenta[a]indene-8-carbonitrile

Guidance literature:: With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; In benzene; at 100 ℃; for 3h; under 60800 Torr;
DOI:10.1016/S0040-4039(99)01346-5