1-Ethyl-2-methyl-1H-indole

Base Information

• Chemical Name: 1-Ethyl-2-methyl-1H-indole
• CAS No.: 40876-94-6
• Molecular Formula: C11H13N
• Molecular Weight: 159.231
• Hs Code.: 2933990090
• European Community (EC) Number: 255-121-3
• DSSTox Substance ID: DTXSID7068261
• Nikkaji Number: J25.991H
• Wikidata: Q72475974
• Mol file: 40876-94-6.mol

Synonyms:1-Ethyl-2-methyl-1H-indole;1-Ethyl-2-methylindole;40876-94-6;1H-Indole, 1-ethyl-2-methyl-;EINECS 255-121-3;N-ethyl-2-methylindole;1-ethyl-2-methyl-indole;SCHEMBL668767;1-Ethyl-2-methylindole, 97%;DTXSID7068261;MFCD01632168;STK319342;AKOS003407041;DS-18283;E1376;FT-0659500;D84345;A825328

Chemical Property of 1-Ethyl-2-methyl-1H-indole

Chemical Property:

• Vapor Pressure: 0.009mmHg at 25°C
• Refractive Index: n20/D 1.587(lit.)
• Boiling Point: 274.5 °C at 760 mmHg
• Flash Point: 119.8 °C
• PSA: 4.93000
• Density: 0.98 g/cm³
• LogP: 2.96960
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 159.104799419
• Heavy Atom Count: 12
• Complexity: 155

Purity/Quality:

99.9% ^*data from raw suppliers

1-Ethyl-2-methylindole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C(=CC2=CC=CC=C21)C
• Uses: 1-Ethyl-2-methylindole may be used in synthesis of hetrocyclic indole compounds.

Technology Process of 1-Ethyl-2-methyl-1H-indole

There total 16 articles about 1-Ethyl-2-methyl-1H-indole 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: 95.0%

2-methyl-1H-indole (95-20-5) + ethyl bromide (74-96-4) → 1-ethyl-2-methylindole (40876-94-6)

Guidance literature:

With potassium hydroxide; PEG-400-Et₂; In water; benzene; at 30 ℃; for 2h;

DOI:10.1246/bcsj.56.280

Reference yield: 87.0%

2-allyl-N-ethylaniline (55469-30-2) → 1-ethyl-2-methylindole (40876-94-6)

Guidance literature:

With palladium diacetate; sodium carbonate; 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In N,N-dimethyl-formamide; at 70 ℃; for 3h; regioselective reaction;

DOI:10.1016/j.tetlet.2010.05.068

Reference yield: 83.0%

2-methyl-1H-indole (95-20-5) + ethyl iodide (75-03-6) → 1-ethyl-2-methylindole (40876-94-6)

Guidance literature:

With potassium hydroxide; In dimethyl sulfoxide; at 20 ℃; for 12h;

upstream raw materials:

2-methyl-1H-indole

diethyl sulfate

1-(ethyl(phenyl)amino)propan-2-one

N-ethyl-N-phenylamine

Downstream raw materials:

1-(1-ethyl-2-methylindol-3-yl)-1-(4-methylphenyl)ethylene

3-[(4-methylphenylsulfonyl)-(thien-2-yl)methyl]-1-ethyl-2-methyl-1H-indole

1-ethyl-2-methyl-1H-indole-3-carbonitrile

1-ethyl-2-methyl-1H-indole-3-carboxaldehyde