1-Methyl-3-phenylindole

Base Information

• Chemical Name: 1-Methyl-3-phenylindole
• CAS No.: 30020-98-5
• Molecular Formula: C15H13N
• Molecular Weight: 207.275
• DSSTox Substance ID: DTXSID201310163
• Nikkaji Number: J681.932J
• Mol file: 30020-98-5.mol

Synonyms:1-Methyl-3-phenylindole;1-Methyl-3-phenyl-1H-indole;30020-98-5;SCHEMBL1310255;1-Methyl-3-phenyl-1H-indole #;DTXSID201310163;FT-0758217

Chemical Property of 1-Methyl-3-phenylindole

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 207.104799419
• Heavy Atom Count: 16
• Complexity: 232

Purity/Quality:

95+% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=C(C2=CC=CC=C21)C3=CC=CC=C3

Technology Process of 1-Methyl-3-phenylindole

There total 98 articles about 1-Methyl-3-phenylindole 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: 100.0%

3-phenyl-1H-indole (1504-16-1) + methyl iodide (74-88-4) → N-methyl-3-phenylindole (30020-98-5)

Guidance literature:

3-phenyl-1H-indole; With sodium hydride; In tetrahydrofuran; oil; at 0 ℃; for 1.03333h; Inert atmosphere;

methyl iodide; In tetrahydrofuran; oil; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1039/c0cc05033d

Reference yield: 100.0%

N-methyl-2-(1-phenylethenyl)benzenamine (133363-43-6) → N-methyl-3-phenylindole (30020-98-5)

Guidance literature:

With oxygen; copper diacetate; magnesium sulfate; triethylamine; In toluene; at 150 ℃; for 30h; under 760.051 Torr; Schlenk technique; Sealed tube;

DOI:10.1002/anie.201709894

Reference yield: 95.0%

1-Methyl-1-phenylhydrazine (618-40-6) + phenylacetylene (536-74-3) → N-methyl-3-phenylindole (30020-98-5)

Guidance literature:

1-Methyl-1-phenylhydrazine; phenylacetylene; Ti(SC₆F₅)2(NMe₂)2(NHMe₂); In toluene; at 100 ℃;

With zinc(II) chloride; In toluene; at 100 ℃; for 18h; Further stages.;

DOI:10.1021/ol0201052

upstream raw materials:

ethanol

N-methyl-N-phenacylaniline

(E)-3-Ureido-but-2-enoic acid ethyl ester

1-methyl-3-phenyl-1H-indole-2-carboxylic acid

Downstream raw materials:

1-methyl-2-phenyl-1H-indole

1-Methyl-5-phenyl-1H-benzo[b]azepine-3,4-dicarboxylic acid dimethyl ester

(Z)-2-(1-Methyl-3-phenyl-2,3-dihydro-1H-indol-2-yl)-3-(1-methyl-3-phenyl-1H-indol-2-yl)-but-2-enedioic acid dimethyl ester

(Z)-2,3-Bis-(1-methyl-3-phenyl-1H-indol-2-yl)-but-2-enedioic acid dimethyl ester

Refernces

• 1、 Jin, Weiwei,Liu, Chenjiang,Liu, Tianxiang,Sun, Yajun,Wang, Bin,Wang, Rui,Xia, Yu,Zhang, Yonghong. "In Situ Preparation of Palladium Nanoparticles for C-2 Selective Arylation of Indoles in Agro-Waste Extract Based Mixed Solvents". supporting information. p. 2470 - 2473. Retrieved 2021/06/25.
• 2、 Duan, Xin Hong,Xu, Peng. "Pd/β-cyclodextrin-catalyzed C-H functionalization in water: A greener approach to regioselective arylation of (NH)-indoles with aryl bromides". supporting information. p. 19425 - 19431. Retrieved 2021/11/09.