1-Bromooctacosane

Base Information

• Chemical Name: 1-Bromooctacosane
• CAS No.: 16331-21-8
• Molecular Formula: C28H57 Br
• Molecular Weight: 473.6562
• NSC Number: 53830
• DSSTox Substance ID: DTXSID30288016
• Wikidata: Q82024271
• Mol file: 16331-21-8.mol

Synonyms:1-Bromooctacosane;Octacosane, 1-bromo-;16331-21-8;NSC 53830;NSC53830;SCHEMBL5575232;DTXSID30288016;NSC-53830

Chemical Property of 1-Bromooctacosane

Chemical Property:

• Vapor Pressure: 4.73E-08mmHg at 25°C
• Boiling Point: 455.5°Cat760mmHg
• Flash Point: 190.2°C
• Density: 0.939g/cm³
• XLogP3: 15.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 26
• Exact Mass: 472.36436
• Heavy Atom Count: 29
• Complexity: 263

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCBr

Technology Process of 1-Bromooctacosane

There total 4 articles about 1-Bromooctacosane 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:

9-decyn-1-ol (17643-36-6) → 1-bromo-octacosane (16331-21-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 1.) n-BuLi / 1.) HMPA_. 2.) HMPA

2: H₂ / Pd/C / ethanol

3: 48percent aq. HBr, conc. H₂SO₄ / 90 - 110 °C

With n-butyllithium; sulfuric acid; hydrogen bromide; hydrogen; palladium on activated charcoal; In ethanol;

DOI:10.1021/ja00062a086

Reference yield:

Octacos-9-yn-1-ol (148172-69-4) → 1-bromo-octacosane (16331-21-8)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂ / Pd/C / ethanol

2: 48percent aq. HBr, conc. H₂SO₄ / 90 - 110 °C

With sulfuric acid; hydrogen bromide; hydrogen; palladium on activated charcoal; In ethanol;

DOI:10.1021/ja00062a086

Reference yield:

1-Bromooctadecane (112-89-0) → 1-bromo-octacosane (16331-21-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 1.) n-BuLi / 1.) HMPA_. 2.) HMPA

2: H₂ / Pd/C / ethanol

3: 48percent aq. HBr, conc. H₂SO₄ / 90 - 110 °C

With n-butyllithium; sulfuric acid; hydrogen bromide; hydrogen; palladium on activated charcoal; In ethanol;

DOI:10.1021/ja00062a086

upstream raw materials:

octacosyl alcohol

9-decyn-1-ol

Octacos-9-yn-1-ol

1-Bromooctadecane

Refernces