1-Benzyl-2-phenyl-1H-indole

Base Information

• Chemical Name: 1-Benzyl-2-phenyl-1H-indole
• CAS No.: 52604-15-6
• Molecular Formula: C21H17N
• Molecular Weight: 283.373
• ChEMBL ID: CHEMBL4203283
• DSSTox Substance ID: DTXSID30471845
• Nikkaji Number: J390.237D
• Mol file: 52604-15-6.mol

Synonyms:1-Benzyl-2-phenyl-1H-indole;1-benzyl-2-phenylindole;52604-15-6;N-benzyl-2-phenylindole;SCHEMBL4887683;CHEMBL4203283;DTXSID30471845;NTEREHKLCGIVKK-UHFFFAOYSA-N

Chemical Property of 1-Benzyl-2-phenyl-1H-indole

Chemical Property:

• Melting Point: 114-116 °C(Solv: methanol (67-56-1))
• Boiling Point: 491.2±24.0 °C(Predicted)
• PSA: 4.93000
• Density: 1.05±0.1 g/cm3(Predicted)
• LogP: 5.35660
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 283.136099547
• Heavy Atom Count: 22
• Complexity: 340

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN2C3=CC=CC=C3C=C2C4=CC=CC=C4

Technology Process of 1-Benzyl-2-phenyl-1H-indole

There total 72 articles about 1-Benzyl-2-phenyl-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: 100.0%

N-benzyl-2-(phenylethynyl)aniline (87587-26-6) → 1-benzyl-2-phenyl-1H-indole (52604-15-6)

Guidance literature:

N-benzyl-2-(phenylethynyl)aniline; With n-butyllithium; In diethyl ether; hexane; at 0 - 20 ℃; for 0.5h;

With zinc(II) chloride; In toluene; at 120 ℃; for 1h;

With ammonium chloride; In water; toluene;

DOI:10.1021/ol060896y

Reference yield: 95.0%

1-bromo-2-(phenylethenyl)benzene (21375-88-2) + benzylamine (100-46-9) → 1-benzyl-2-phenyl-1H-indole (52604-15-6)

Guidance literature:

With tri-tert-butyl phosphine; potassium tert-butylate; palladium diacetate; In toluene; at 110 - 120 ℃; for 14h;

DOI:10.1002/adsc.200606022

Reference yield: 94.0%

iodobenzene (591-50-4) + N-benzylindole (3377-71-7) → 1-benzyl-2-phenyl-1H-indole (52604-15-6)

Guidance literature:

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

DOI:10.1002/chem.201302838

upstream raw materials:

2-phenyl-indole

benzyl bromide

benzyl chloride

trimethylbenzylammonium bromide

Downstream raw materials:

2-phenyl-indole

1-benzyl-2-phenyl-1H-indol-3-ol

11-benzyl-5,6-diphenyl-11H-benzo[a]carbazole

1-benzyl-2-phenyl-1H-indole-3-carbonitrile