2,7-dibromo-9-(heptadecan-9-yl)-9H-carbazole

Base Information

• Chemical Name: 2,7-dibromo-9-(heptadecan-9-yl)-9H-carbazole
• CAS No.: 955964-73-5
• Molecular Formula: C29H41Br2N
• Molecular Weight: 563.459
• European Community (EC) Number: 808-010-4
• DSSTox Substance ID: DTXSID30694739
• Nikkaji Number: J2.506.527A
• Wikidata: Q72464728
• Mol file: 955964-73-5.mol

Synonyms:2,7-dibromo-9-(heptadecan-9-yl)-9H-carbazole;955964-73-5;2,7-DIBROMO-9-(1-OCTYLNONYL)-9H-CARBAZOLE;2,7-dibromo-9-heptadecan-9-ylcarbazole;2,7-Dibromo-9-(9-heptadecyl)carbazole;C29H41Br2N;SCHEMBL12131327;DTXSID30694739;AMY27086;MFCD16619379;AKOS016011763;DS-6907;SB66748;2,7-Dibromo-9-(1-octylnonyl)9H-carbazole;CS-0152273;D4490;A859003

Chemical Property of 2,7-dibromo-9-(heptadecan-9-yl)-9H-carbazole

Chemical Property:

• Vapor Pressure: 0.0±0.0 mmHg at 25°C
• Melting Point: 59-61 oC
• Boiling Point: 595.0±0.0 °C at 760 mmHg
• Flash Point: 313.6±0.0 °C
• PSA: 4.93000
• Density: 1.25
• LogP: 11.36180
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 12.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 15
• Exact Mass: 563.15853
• Heavy Atom Count: 32
• Complexity: 456

Purity/Quality:

99%, ^*data from raw suppliers

2,7-Dibromo-9-(9-heptadecyl)carbazole >98.0%(HPLC)(N) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC(CCCCCCCC)N1C2=C(C=CC(=C2)Br)C3=C1C=C(C=C3)Br

Technology Process of 2,7-dibromo-9-(heptadecan-9-yl)-9H-carbazole

There total 7 articles about 2,7-dibromo-9-(heptadecan-9-yl)-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: 90.0%

9-(4-methylbenzenesulfonate)-9-heptadecanol (949898-99-1) + 2,7-dibromo-9H-carbazole (136630-39-2) → 2,7-dibromo-9-(heptadecane-9-yl)-9H-carbazole (955964-73-5)

Guidance literature:

2,7-dibromo-9H-carbazole; With potassium hydroxide; In dimethyl sulfoxide; at 80 ℃; for 1h;

toluene-4-sulfonic acid 1-octyl-nonyl ester; In dimethyl sulfoxide; Heating;

DOI:10.1016/j.polymer.2017.05.039

Reference yield:

9-heptadecanol (624-08-8) → 2,7-dibromo-9-(heptadecane-9-yl)-9H-carbazole (955964-73-5)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine; trimethylamine hydrochloride / dichloromethane / 1.5 h / 0 °C / Inert atmosphere

2: potassium hydroxide / dimethyl sulfoxide / 24 h / 20 °C / Inert atmosphere

With trimethylamine hydrochloride; triethylamine; potassium hydroxide; In dichloromethane; dimethyl sulfoxide;

DOI:10.1021/ja309524f

Reference yield:

4-(4-bromophenyl)bromobenzene (92-86-4) → 2,7-dibromo-9-(heptadecane-9-yl)-9H-carbazole (955964-73-5)

Guidance literature:

Multi-step reaction with 3 steps

1: acetic acid; nitric acid / 6 h / 110 °C

2: triethyl phosphite / 18 h / Inert atmosphere; Reflux

3: potassium hydroxide / dimethyl sulfoxide / 24 h

With nitric acid; acetic acid; potassium hydroxide; triethyl phosphite; In dimethyl sulfoxide;

upstream raw materials:

9-(4-methylbenzenesulfonate)-9-heptadecanol

2,7-dibromo-9H-carbazole

octylmagnesium bromide

9-heptadecanol

Downstream raw materials:

2,7-bis(hydroxymethyl)-9-(1-octylnonyl)-9H-carbazole

2,7-bis(cyanomethyl)-9-(1-octylnonyl)-9H-carbazole

9-(9-heptadecanyl)-2,7-diformylcarbazole

C₃₃H₄₇NO₄S₂

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