1H-Indole, 3-ethyl-2-methyl-

Base Information

• Chemical Name: 1H-Indole, 3-ethyl-2-methyl-
• CAS No.: 35246-18-5
• Molecular Formula: C11H13N
• Molecular Weight: 159.231
• DSSTox Substance ID: DTXSID50188741
• Nikkaji Number: J634.220E
• Wikidata: Q83060577
• Mol file: 35246-18-5.mol

Synonyms:3-ethyl-2-methyl-1H-indole;1H-Indole, 3-ethyl-2-methyl-;35246-18-5;2-methyl-3-ethylindole;3-ethyl-2-methyl indole;SCHEMBL669111;DTXSID50188741;UTFUFZSBOJRSGN-UHFFFAOYSA-N;AKOS000445979

Chemical Property of 1H-Indole, 3-ethyl-2-methyl-

Chemical Property:

• Vapor Pressure: 0.00255mmHg at 25°C
• Boiling Point: 296.3°Cat760mmHg
• Flash Point: 126°C
• Density: 1.054g/cm³
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 159.104799419
• Heavy Atom Count: 12
• Complexity: 155

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=C(NC2=CC=CC=C21)C

Technology Process of 1H-Indole, 3-ethyl-2-methyl-

There total 5 articles about 1H-Indole, 3-ethyl-2-methyl- 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: 60.0%

→ 2-methyl-1H-indole (95-20-5) + 3-ethyl-2-methyl-1H-indole (35246-18-5)

Guidance literature:

pentacarbonyl(1-[N-(2-(1-propenyl)phenyl)amino]ethylidene)chromium; In acetonitrile; for 16.5h; Heating;

With air; for 72h;

DOI:10.1016/j.tet.2003.09.028

Reference yield:

3-phenylaminopentan-2-one (710325-44-3) → 3-ethyl-2-methyl-1H-indole (35246-18-5) + 2-ethyl-3-methylindole (19013-49-1) + 2-phenylaminopentan-3-one

Guidance literature:

With zinc trifluoromethanesulfonate; at 85 ℃; for 5h;

DOI:10.1021/jo0606711

Reference yield:

2-Pentyne (627-21-4) + 2-iodophenylamine (615-43-0) → 3-ethyl-2-methyl-1H-indole (35246-18-5) + 2-ethyl-3-methylindole (19013-49-1)

Guidance literature:

With palladium diacetate; tetrabutyl-ammonium chloride; potassium carbonate; triphenylphosphine; In N,N-dimethyl-formamide; at 100 ℃; for 24h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

DOI:10.1021/jo9803277

upstream raw materials:

2-Pentyne

2-iodophenylamine

pent-1-yn-3-ol

aniline