2-(4-methoxyphenyl)-5-methyl-1H-indole

Base Information

• Chemical Name: 2-(4-methoxyphenyl)-5-methyl-1H-indole
• CAS No.: 62613-67-6
• Molecular Formula: C16H15NO
• Molecular Weight: 237.301
• DSSTox Substance ID: DTXSID90604930
• Wikidata: Q82503009
• Mol file: 62613-67-6.mol

Synonyms:2-(4-methoxyphenyl)-5-methyl-1H-indole;62613-67-6;SCHEMBL11651810;DTXSID90604930;AKOS022220805;AQ-360/43019940

Chemical Property of 2-(4-methoxyphenyl)-5-methyl-1H-indole

Chemical Property:

• PSA: 25.02000
• LogP: 4.15190
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 237.115364102
• Heavy Atom Count: 18
• Complexity: 272

Purity/Quality:

2-(4-METHOXYPHENYL)-5-METHYL-1H-INDOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)NC(=C2)C3=CC=C(C=C3)OC

Technology Process of 2-(4-methoxyphenyl)-5-methyl-1H-indole

There total 13 articles about 2-(4-methoxyphenyl)-5-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: 92.0%

1-(4-methoxyphenyl)-2-(4-methylphenylamino)ethanone (155699-62-0) + p-toluidine (106-49-0,12221-03-3) → 5-methyl-2-(4-methoxyphenyl)-1H-indole (62613-67-6)

Guidance literature:

1-(4-methoxyphenyl)-2-(4-methylphenylamino)ethanone; p-toluidine; With triphenylphosphine; palladium(II) bromide; In 2,2,2-trifluoroethanol; toluene; for 0.25h; Schlenk technique; Inert atmosphere;

With hydrogen; sodium sulfate; In 2,2,2-trifluoroethanol; toluene; at 150 ℃; for 24h; under 41372.9 Torr; regioselective reaction; Autoclave; Schlenk technique;

DOI:10.1002/ejoc.201900394

Reference yield: 81.0%

C16H16ClNO → 5-methyl-2-(4-methoxyphenyl)-1H-indole (62613-67-6)

Guidance literature:

With palladium diacetate; cesium fluoride; Tri(p-tolyl)phosphine; In tetrahydrofuran; at 65 ℃; for 38h; Inert atmosphere; Schlenk technique;

DOI:10.1002/ejoc.201801607

Reference yield: 50.0%

p-toluidine (106-49-0,12221-03-3) + 2-Bromo-4'-methoxyacetophenone (2632-13-5) → 5-methyl-2-(4-methoxyphenyl)-1H-indole (62613-67-6)

Guidance literature:

With N,N-dimethyl-aniline; In xylene; at 150 ℃; for 15h;

DOI:10.1016/j.ejmech.2007.05.009

upstream raw materials:

p-toluidine

2-Bromo-4'-methoxyacetophenone

1-(4-methoxyphenyl)ethanone

2-chloro-1-(4-methoxyphenyl)ethanone

Downstream raw materials:

C₂₃H₂₈N₂O₃

C₁₈H₁₉NO₂

C₁₈H₁₇NO₃

C₂₆H₂₉BrN₂O₃Si

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