3,5-dibromo-1H-indole

Base Information

• Chemical Name: 3,5-dibromo-1H-indole
• CAS No.: 81387-89-5
• Molecular Formula: C8H5Br2N
• Molecular Weight: 274.942
• DSSTox Substance ID: DTXSID80475434
• Nikkaji Number: J3.410.354B
• Wikidata: Q82305967
• Mol file: 81387-89-5.mol

Synonyms:3,5-dibromo-1H-indole;81387-89-5;3,5-dibromoindole;1H-Indole, 3,5-dibromo-;DTXSID80475434;AKOS009322635;CS-0343117;FT-0651714;EN300-1275476;A840118

Chemical Property of 3,5-dibromo-1H-indole

Chemical Property:

• Melting Point: 94℃
• Boiling Point: 374.3 °C at 760 mmHg
• Flash Point: 180.171 °C
• PSA: 15.79000
• Density: 2.048 g/cm³
• LogP: 3.69290
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 274.87682
• Heavy Atom Count: 11
• Complexity: 151

Purity/Quality:

97% ^*data from raw suppliers

3,5-Dibromo-1H-indole 97% ^*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)Br

Technology Process of 3,5-dibromo-1H-indole

There total 1 articles about 3,5-dibromo-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: 75.0%

5-bromo-1-carbomethoxyindoline (918529-91-6) → 5-bromo-1H-indole (10075-50-0) + 3,5-dibromo-1H-indole (81387-89-5)

Guidance literature:

5-bromo-1-carbomethoxyindoline; With bromine; In tetrachloromethane; for 2h;

With sodium hydride; In methanol; for 2h; Further stages.; Heating;

DOI:10.1021/np060406a

Reference yield: 80.0%

3,5-dibromo-1H-indole (81387-89-5) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 5-bromo-1H-indole-3-carboxaldehyde (877-03-2)

Guidance literature:

3,5-dibromo-1H-indole; With isopropylmagnesium chloride; In tetrahydrofuran; at 0 ℃; for 0.166667h;

With n-butyllithium; In tetrahydrofuran; hexane; at -20 ℃; for 0.5h;

N,N-dimethyl-formamide; In tetrahydrofuran; hexane; at -20 ℃; for 0.5h;

DOI:10.3390/molecules22111952

Reference yield:

3,5-dibromo-1H-indole (81387-89-5) → C24H22Br2N2O2

Guidance literature:

Multi-step reaction with 2 steps

1: potassium hydroxide / N,N-dimethyl-formamide

2: magnesium(II) perchlorate / acetonitrile

With magnesium(II) perchlorate; potassium hydroxide; In N,N-dimethyl-formamide; acetonitrile;

DOI:10.1021/ci500555g

upstream raw materials:

5-bromo-1-carbomethoxyindoline

Downstream raw materials:

5-bromo-1H-indole-3-carboxaldehyde

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