3,6-Dibromo-9-octyl-9H-carbazole

Base Information

• Chemical Name: 3,6-Dibromo-9-octyl-9H-carbazole
• CAS No.: 79554-93-1
• Molecular Formula: C20H23Br2N
• Molecular Weight: 437.217
• Hs Code.: 2933990090
• European Community (EC) Number: 806-949-4
• DSSTox Substance ID: DTXSID60462862
• Nikkaji Number: J1.787.975H
• Wikidata: Q82287477
• Mol file: 79554-93-1.mol

Synonyms:3,6-Dibromo-9-octyl-9H-carbazole;79554-93-1;3,6-Dibromo-9-n-octylcarbazole;3,6-dibromo-9-octylcarbazole;9H-Carbazole, 3,6-dibromo-9-octyl-;3,6-dibromo-n-octylcarbazole;SCHEMBL751367;DTXSID60462862;MFCD23703112;AKOS016011668;AS-60806;D4482;A864845

Chemical Property of 3,6-Dibromo-9-octyl-9H-carbazole

Chemical Property:

• Melting Point: 81.0 to 85.0 °C
• Boiling Point: 507.5±43.0 °C(Predicted)
• PSA: 4.93000
• Density: 1.43±0.1 g/cm3(Predicted)
• LogP: 7.68000
• Storage Temp.: 2-8°C
• Solubility.: soluble in Toluene
• XLogP3: 8.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 7
• Exact Mass: 437.01768
• Heavy Atom Count: 23
• Complexity: 336

Purity/Quality:

99%, ^*data from raw suppliers

3,6-Dibromo-9-octyl-9H-carbazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCN1C2=C(C=C(C=C2)Br)C3=C1C=CC(=C3)Br

Technology Process of 3,6-Dibromo-9-octyl-9H-carbazole

There total 5 articles about 3,6-Dibromo-9-octyl-9H-carbazole 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%

3,6-dibromo-9H-carbazole (6825-20-3) + 1-bromo-octane (111-83-1) → 3,6-dibromo-9-octyl-9H-carbazole (79554-93-1)

Guidance literature:

With tetrabutylammomium bromide; sodium hydroxide; In toluene; at 120 ℃;

DOI:10.1039/c1ob05857f

Reference yield: 90.0%

9-octylcarbazole (4041-19-4) → 3,6-dibromo-9-octyl-9H-carbazole (79554-93-1)

Guidance literature:

With N-Bromosuccinimide; In chloroform; at 40 ℃; for 8h; Inert atmosphere;

DOI:10.1016/j.tet.2013.11.082

Reference yield:

1-bromo-octane (111-83-1) → 3,6-dibromo-9-octyl-9H-carbazole (79554-93-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 94 percent / benzyltriethylammonium chloride; aq. NaOH / toluene / 16 h / Heating

2: 78 percent / N-bromosuccinimide / tetrahydrofuran / 0 - 20 °C

With sodium hydroxide; N-Bromosuccinimide; N-benzyl-N,N,N-triethylammonium chloride; In tetrahydrofuran; toluene;

DOI:10.1021/ja049883a

upstream raw materials:

9-octylcarbazole

3,6-dibromo-9H-carbazole

1-bromo-octane

9H-carbazole

Downstream raw materials:

9-octyl-3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole

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