2-(4-chlorophenyl)-1-methyl-1H-indole

Base Information

• Chemical Name: 2-(4-chlorophenyl)-1-methyl-1H-indole
• CAS No.: 5905-11-3
• Molecular Formula: C15H12ClN
• Molecular Weight: 241.72
• DSSTox Substance ID: DTXSID30360346
• Nikkaji Number: J2.311.142J
• Wikidata: Q82142032
• ChEMBL ID: CHEMBL3823196
• Mol file: 5905-11-3.mol

Synonyms:2-(4-chlorophenyl)-1-methyl-1H-indole;5905-11-3;STK256305;1-Methyl-2-p-chlorphenylindol;CHEMBL3823196;SCHEMBL11658428;DTXSID30360346;AKOS000507490;NCGC00338368-01;1h-indole,2-(4-chlorophenyl)-1-methyl-;AB01330979-02;BRD-K72666251-001-01-0

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

Chemical Property:

• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 241.0658271
• Heavy Atom Count: 17
• Complexity: 260

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=CC=CC=C2C=C1C3=CC=C(C=C3)Cl

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

There total 29 articles about 2-(4-chlorophenyl)-1-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: 96.0%

2-(p-chlorophenyl)-1-methylindoline → 2-(4-chlorophenyl)-1-methyl-2-phenyl-1H-indole (5905-11-3)

Guidance literature:

With ferrocene; tris(pentafluorophenyl)borate; In toluene; at 120 ℃; for 17h; under 75.0075 Torr; Inert atmosphere; Schlenk technique; Glovebox;

DOI:10.1002/anie.201606426

Reference yield: 93.0%

1-methylindole (603-76-9) + 1-Chloro-4-iodobenzene (637-87-6) → 2-(4-chlorophenyl)-1-methyl-2-phenyl-1H-indole (5905-11-3)

Guidance literature:

With water; palladium diacetate; silver cyclohexanecarboxylate; at 30 ℃; for 16h;

DOI:10.1002/chem.201302838

Reference yield: 93.0%

1-methylindole (603-76-9) + (4-chlorophenyl)trimethoxysilane (35692-30-9) → 2-(4-chlorophenyl)-1-methyl-2-phenyl-1H-indole (5905-11-3)

Guidance literature:

With tetrabutyl ammonium fluoride; palladium diacetate; acetic acid; silver(l) oxide; In tetrahydrofuran; ethanol; at 20 ℃; regioselective reaction; Inert atmosphere;

DOI:10.1021/ol101147b

upstream raw materials:

1-(4-chlorophenyl)-2-diazoethanone

1-(4-chlorophenyl)-2-(methyl(phenyl)amino)ethanone

para-chloroacetophenone

1-Methyl-1-phenylhydrazine

Downstream raw materials:

3-hydroxy-1-methyl-3-phenyl-1,3-dihydro-2H-indol-2-one

2-(4-chloro-phenyl)-1-methyl-1H-indole-3-carbodithioic acid methyl ester

2-(4-chlorophenyl)-3-fluoro-1-methyl-1H-indole

3-chloro-11-methyl-5,6-diphenyl-11H-benzo[a]carbazole