2-(4-methylphenyl)-1H-indole

Base Information

• Chemical Name: 2-(4-methylphenyl)-1H-indole
• CAS No.: 55577-25-8
• Molecular Formula: C15H13 N
• Molecular Weight: 207.275
• Hs Code.: 2933990090
• European Community (EC) Number: 833-995-2
• NSC Number: 158445
• DSSTox Substance ID: DTXSID20303469
• Nikkaji Number: J693.483H
• Wikidata: Q82048787
• ChEMBL ID: CHEMBL4210122
• Mol file: 55577-25-8.mol

Synonyms:2-(4-methylphenyl)-1H-indole;55577-25-8;2-(p-Tolyl)indole;2-(p-tolyl)-1H-indole;1H-Indole,2-(4-methylphenyl)-;NSC158445;2-(p-toluyl)indole;2-(4-methylphenyl)indole;SCHEMBL3986163;CHEMBL4210122;DTXSID20303469;VPXGIHGJJJBJFP-UHFFFAOYSA-N;BBL020376;MFCD00087262;STK127750;AKOS001689918;CCG-116832;NSC-158445;NCGC00320586-01;AS-59484;CS-0207270;FT-0762265;T3351;T72611;AB01314961-02;4-[(1-ADAMANTYLCARBONYL)AMINO]BUTANOICACID;A830883;AF-963/00524001

Chemical Property of 2-(4-methylphenyl)-1H-indole

Chemical Property:

• Vapor Pressure: 3.04E-06mmHg at 25°C
• Melting Point: 220.0 to 224.0 °C
• Boiling Point: 400°Cat760mmHg
• Flash Point: 178.4°C
• PSA: 15.79000
• Density: 1.129g/cm³
• LogP: 4.14330
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 207.104799419
• Heavy Atom Count: 16
• Complexity: 230

Purity/Quality:

97% ^*data from raw suppliers

2-(p-Tolyl)indole >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2=CC3=CC=CC=C3N2

Technology Process of 2-(4-methylphenyl)-1H-indole

There total 112 articles about 2-(4-methylphenyl)-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: 99.0%

2-iodophenylamine (615-43-0) + 4-n-methylphenylacetylene (766-97-2) → 2-(4-methylphenyl)-1H-indole (55577-25-8)

Guidance literature:

With (diphenylphosphin)ferrocene; gold(I) iodide; potassium carbonate; In toluene; at 130 ℃; for 24h;

DOI:10.1002/ejoc.200800765

Reference yield: 99.0%

1-azido-2-((E)-4-methylstyryl)benzene (1054567-01-9) → 2-(4-methylphenyl)-1H-indole (55577-25-8)

Guidance literature:

With tris(bipyridine)ruthenium(II) dichloride hexahydrate; In N,N-dimethyl-formamide; at 20 ℃; for 24h; Schlenk technique; Irradiation;

DOI:10.1002/adsc.201400527

Reference yield: 96.1%

N-(2-(cyanomethyl)phenyl)acetamide (36268-59-4) + potassium (4-methylphenyl)trifluoroborate → 2-(4-methylphenyl)-1H-indole (55577-25-8)

Guidance literature:

With 4,4'-dimethyl-2,2'-bipyridines; bis(acetylacetonato)palladium(II); toluene-4-sulfonic acid; In water; at 90 ℃; for 20h; Reagent/catalyst; Solvent; Inert atmosphere;

upstream raw materials:

N-ethyl-N-phenylamine

4-(bromoacetyl)toluene

aniline

2-diazo-1-(4-methylphenyl)ethanone

Downstream raw materials:

2-p-tolyl-indol-3-one-(O-benzoyl oxime )

2-[(4,5-Dihydro-1H-imidazol-2-yl)-(2-p-tolyl-1H-indol-3-ylmethyl)-amino]-ethanol; hydriodide

3-[(4,5-Dihydro-1H-imidazol-2-yl)-(2-p-tolyl-1H-indol-3-ylmethyl)-amino]-propan-1-ol; hydriodide

1-[(4,5-Dihydro-1H-imidazol-2-yl)-(2-p-tolyl-1H-indol-3-ylmethyl)-amino]-butan-1-ol; hydriodide