4-bromo-2-phenyl-1H-indole

Base Information

• Chemical Name: 4-bromo-2-phenyl-1H-indole
• CAS No.: 1244651-87-3
• Molecular Formula: C₁₄H₁₀BrN
• Molecular Weight: 272.144
• European Community (EC) Number: 825-982-5
• Nikkaji Number: J2.886.474D
• Mol file: 1244651-87-3.mol

Synonyms:4-bromo-2-phenyl-1H-indole;1244651-87-3;G70602

Chemical Property of 4-bromo-2-phenyl-1H-indole

Chemical Property:

• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 270.99966
• Heavy Atom Count: 16
• Complexity: 237

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC3=C(N2)C=CC=C3Br

Technology Process of 4-bromo-2-phenyl-1H-indole

There total 13 articles about 4-bromo-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: 92.0%

1-bromo-3-iodo-2-methylbenzene (97456-81-0) + benzonitrile (100-47-0) → 4-bromo-2-phenyl-1H-indole (1244651-87-3)

Guidance literature:

With potassium tert-butylate; copper(II) sulfate; In octane; tert-butyl alcohol; at 60 ℃; for 40h; Schlenk technique; Inert atmosphere; Sealed tube;

Reference yield: 83.0%

N-(3-bromo-2-(2-phenylethynyl)phenyl)-2-hydroxy-2-methylpropanamide (1244651-57-7) → 4-bromo-2-phenyl-1H-indole (1244651-87-3)

Guidance literature:

With sodium hydroxide; In N,N-dimethyl-formamide; at 140 ℃; for 5h; Inert atmosphere;

DOI:10.1039/c004360e

Reference yield: 70.0%

4-bromo-1H-indole (52488-36-5) + benzoic acid hydrazide (613-94-5) → 4-bromo-2-phenyl-1H-indole (1244651-87-3)

Guidance literature:

With copper(l) iodide; oxygen; toluene-4-sulfonic acid; palladium dichloride; In nitromethane; dimethyl sulfoxide; at 100 ℃; for 10h; under 760.051 Torr;

DOI:10.1002/cjoc.201600493

upstream raw materials:

N-(3-bromo-2-(2-phenylethynyl)phenyl)-2-hydroxy-2-methylpropanamide

benzaldehyde

2-bromo-6-nitrotoluene

benzenesulfonyl chloride

Downstream raw materials:

4-bromo-3-((Z)-4-methyl-1,3-diphenylpenta-1,3-dienyl)-2-phenyl-1H-indole

4-(hex-1-ynyl)-2-phenyl-1H-indole