5,6-Dibromo-1H-indole

Base Information

• Chemical Name: 5,6-Dibromo-1H-indole
• CAS No.: 854923-38-9
• Molecular Formula: C₈H₅Br₂N
• Molecular Weight: 274.942
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID20591728
• Nikkaji Number: J2.983.226I
• Wikidata: Q82485583
• Mol file: 854923-38-9.mol

Synonyms:5,6-Dibromo-1H-indole;854923-38-9;MFCD16610749;1H-Indole, 5,6-dibromo-;5,6-dibromo-1H indole;SCHEMBL23932310;DTXSID20591728;AMY24323;AKOS016002436;DS-3493;SY117454;DB-219239;CS-0100533;C76753;EN300-208438;Z1269152356

Chemical Property of 5,6-Dibromo-1H-indole

Chemical Property:

• PSA: 15.79000
• LogP: 3.69290
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• 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

5,6-Dibromo-1H-indole 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CNC2=CC(=C(C=C21)Br)Br

Technology Process of 5,6-Dibromo-1H-indole

There total 7 articles about 5,6-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: 94.0%

5,6-dibromo-1H-indole-3-carboxylic acid methyl ester (1309792-72-0) → 5,6-dibromo-1H-indole (854923-38-9)

Guidance literature:

With water; potassium hydroxide; In tetrahydrofuran; methanol; at 150 ℃; for 1h; Microwave irradiation;

DOI:10.1039/c1ob05522d

Reference yield: 68.0%

5,6-Dibromoisatin (17826-05-0) → 5,6-dibromo-1H-indole (854923-38-9)

Guidance literature:

With borane-THF; In tetrahydrofuran; at 0 - 20 ℃;

DOI:10.1016/j.tetlet.2011.03.041

Reference yield:

5,6-dibromo-1H-indole-3-carboxylic acid (857809-64-4) → 5,6-dibromo-1H-indole (854923-38-9)

Guidance literature:

In pyridine; for 12h; Reflux; Inert atmosphere;

DOI:10.3390/md12021116

upstream raw materials:

5,6-dibromo-indole-3-carboxylic acid ethyl ester

indole-3-carboxylic acid ethyl ester

6-bromoisatin

5,6-Dibromoisatin

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