5-Bromo-3-iodo-1H-indole

Base Information

• Chemical Name: 5-Bromo-3-iodo-1H-indole
• CAS No.: 868694-19-3
• Molecular Formula: C8H5BrIN
• Molecular Weight: 321.94000
• Hs Code.: 2933998090
• European Community (EC) Number: 846-043-6
• DSSTox Substance ID: DTXSID80595868
• Nikkaji Number: J3.095.809H
• Wikidata: Q82490969
• Mol file: 868694-19-3.mol

Synonyms:5-Bromo-3-iodo-1H-indole;868694-19-3;1H-Indole, 5-bromo-3-iodo-;SCHEMBL19280727;DTXSID80595868;AKOS015834504;CS-0128683;EN300-243666;F15896;A863008

Chemical Property of 5-Bromo-3-iodo-1H-indole

Chemical Property:

• PSA: 15.79000
• LogP: 3.53500
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 320.86501
• Heavy Atom Count: 11
• Complexity: 153

Purity/Quality:

97% ^*data from raw suppliers

5-Bromo-3-iodo-1H-indole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1Br)C(=CN2)I

Technology Process of 5-Bromo-3-iodo-1H-indole

There total 2 articles about 5-Bromo-3-iodo-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%

5-bromo-1H-indole (10075-50-0) → 5-bromo-3-iodo-1H-indole (868694-19-3)

Guidance literature:

With iodine; potassium iodide; sodium hydroxide; In methanol; water; at 20 ℃; for 3h;

DOI:10.1039/c4tc01563k

Reference yield: 25.0%

5-bromo-1H-indole (10075-50-0) → 5-bromo-3-iodo-1H-indole (868694-19-3) + 5-bromo-2,3-diiodo-1H-indole (1384751-75-0)

Guidance literature:

With Iodine monochloride; In dichloromethane; at 20 ℃; for 4h; regioselective reaction; Inert atmosphere;

DOI:10.1016/j.tet.2012.05.053

Reference yield:

5-bromo-3-iodo-1H-indole (868694-19-3) → 3,5-bis(4-methoxyphenyl)-1-tosyl-1H-indole

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium hydride; N-benzyl-N,N,N-triethylammonium chloride / dichloromethane; mineral oil / 0.5 h / 0 °C / Inert atmosphere

1.2: 2 h / 20 °C / Inert atmosphere

2.1: potassium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; water / toluene; ethanol / 5 h / 110 °C / Inert atmosphere

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; N-benzyl-N,N,N-triethylammonium chloride; water; sodium hydride; potassium carbonate; In ethanol; dichloromethane; toluene; mineral oil; 2.1: |Suzuki Coupling;

DOI:10.1021/acs.jmedchem.6b01840

upstream raw materials:

5-bromo-1H-indole

Downstream raw materials:

5-bromo-3-phenyl-1H-indole

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