5-bromo-7-fluoro-1H-indole

Base Information

• Chemical Name: 5-bromo-7-fluoro-1H-indole
• CAS No.: 883500-73-0
• Molecular Formula: C8H5BrFN
• Molecular Weight: 214.037
• Hs Code.: 2933990090
• European Community (EC) Number: 694-420-7
• DSSTox Substance ID: DTXSID70393416
• Wikidata: Q72456044
• Mol file: 883500-73-0.mol

Synonyms:5-bromo-7-fluoro-1H-indole;5-Bromo-7-fluoroindole;883500-73-0;MFCD04037876;SCHEMBL120501;5-Bromo-7-fluoroindole, 97%;AMY7585;DTXSID70393416;TZRRRWOVYVGRSL-UHFFFAOYSA-N;BBL101489;STL555285;AKOS005259074;PB10286;AC-29667;CS-11232;SY011170;BB 0261256;CS-0037549;FT-0677004;EN300-108553;P10285;A862233

Chemical Property of 5-bromo-7-fluoro-1H-indole

Chemical Property:

• Vapor Pressure: 0.000829mmHg at 25°C
• Melting Point: 28-32°C
• Boiling Point: 315.1°C at 760 mmHg
• PKA: 14.58±0.30(Predicted)
• Flash Point: 144.3°C
• PSA: 15.79000
• Density: 1.75g/cm³
• LogP: 3.06950
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 212.95894
• Heavy Atom Count: 11
• Complexity: 153

Purity/Quality:

97% ^*data from raw suppliers

5-Bromo-7-fluoro-1H-indole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-37/38-41
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-bromo-7-fluoro-1H-indole

There total 1 articles about 5-bromo-7-fluoro-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: 36.0%

4-bromo-2-fluoronitrobenzene (321-23-3) + vinyl magnesium bromide (1826-67-1) → 5-bromo-7-fluoro-1H-indole (883500-73-0)

Guidance literature:

In tetrahydrofuran; at -40 ℃;

DOI:10.1002/ejoc.200600118

Reference yield: 58.0%

5-bromo-7-fluoro-1H-indole (883500-73-0) + carbon dioxide (124-38-9,18923-20-1) → 7-fluoroindole-5-carboxylic acid (256935-99-6)

Guidance literature:

5-bromo-7-fluoro-1H-indole; With n-butyllithium; In tetrahydrofuran; hexane; at -75 ℃;

carbon dioxide; In tetrahydrofuran; hexane; cooling;

DOI:10.1002/ejoc.200600118

Reference yield: 43.0%

5-bromo-7-fluoro-1H-indole (883500-73-0) + benzenesulfonyl chloride (98-09-9) → 1-benzenesulfonyl-5-bromo-7-fluoro-1H-indole (1401727-07-8)

Guidance literature:

5-bromo-7-fluoro-1H-indole; With sodium hydride; In tetrahydrofuran; at 0 ℃; for 0.166667h;

benzenesulfonyl chloride; In tetrahydrofuran; at 20 ℃; for 2h;

upstream raw materials:

4-bromo-2-fluoronitrobenzene

vinyl magnesium bromide

Downstream raw materials:

7-fluoroindole-5-carboxylic acid

1-benzenesulfonyl-5-bromo-7-fluoro-2-methyl-1H-indole

1-benzenesulfonyl-7-fluoro-2-methyl-1H-indole-5-carbonitrile

1-(1-benzenesulfonyl-7-fluoro-2-methyl-1H-indol-5-yl)-ethanone