3-phenylindole

Base Information

• Chemical Name: 3-phenylindole
• CAS No.: 1504-16-1
• Molecular Formula: C14H11 N
• Molecular Weight: 307.511
• Hs Code.: 2933990090
• NSC Number: 76690
• UNII: 7676CPK41G
• DSSTox Substance ID: DTXSID80164538
• Nikkaji Number: J47.175E
• Wikidata: Q27266468
• ChEMBL ID: CHEMBL394896
• Mol file: 1504-16-1.mol

Synonyms:Indole,3-phenyl- (6CI,7CI,8CI); 3-Phenyl-1H-indole; 3-Phenylindole; NSC 76690

Chemical Property of 3-phenylindole

Chemical Property:

• Vapor Pressure: 4.64E-06mmHg at 25°C
• Melting Point: 109℃
• Boiling Point: 394°Cat760mmHg
• PKA: 16.74±0.30(Predicted)
• Flash Point: 177.3°C
• PSA: 15.79000
• Density: 1.156g/cm³
• LogP: 3.83490
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 193.089149355
• Heavy Atom Count: 15
• Complexity: 207

Purity/Quality:

97% ^*data from raw suppliers

3-phenyl-1H-indole 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CNC3=CC=CC=C32

Technology Process of 3-phenylindole

There total 168 articles about 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: 96.0%

indole (120-72-9) + bromobenzene (108-86-1,52753-63-6) → 2-phenyl-indole (948-65-2) + 3-phenyl-1H-indole (1504-16-1)

Guidance literature:

indole; With N,N,N,N,-tetramethylethylenediamine; methylmagnesium chloride; In 1,4-dioxane; N,N-dimethyl-formamide; at 65 ℃; for 0.5h;

bromobenzene; palladium diacetate; 1,3-bis(mesityl)imidazolium chloride; In tetrahydrofuran; 1,4-dioxane; at 125 ℃; for 24h;

DOI:10.1021/ja043273t

Reference yield: 81.0%

indole (120-72-9) + phenylboronic acid (98-80-6) → 2-phenyl-indole (948-65-2) + 3-phenyl-1H-indole (1504-16-1)

Guidance literature:

With potassium fluoride; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; palladium diacetate; In propionic acid; at 20 ℃; for 1h;

DOI:10.1002/anie.200901072

Reference yield: 80.0%

indole (120-72-9) + bromobenzene (108-86-1,52753-63-6) → 1-phenyl-1H-indole (16096-33-6) + 2-phenyl-indole (948-65-2) + 3-phenyl-1H-indole (1504-16-1)

Guidance literature:

With potassium carbonate; triphenylphosphine; palladium diacetate; In toluene; at 110 ℃; for 24h; Further Variations:; Reaction partners; Reagents; Solvents; Temperatures; Product distribution;

DOI:10.1021/jo8007572

upstream raw materials:

4-phenyl-cinnoline

4-phenyl-1,2-dihydro-cinnoline

1-amino-3-phenylindole

2-acetyl-3-phenyl-1H-indole

Downstream raw materials:

1-(2-cyanoethyl)-3-phenylindole

1-(4-bromobutyl)-3-phenyl-1H-indole

1-[4-(4-cyclohexyl-piperazin-1-yl)-butyl]-3-phenylindole

1-{4-[4-(4-fluorophenyl)-piperazin-1-yl]-butyl}-3-phenylindole