1-Bromo-11-phenylundecane

Base Information

• Chemical Name: 1-Bromo-11-phenylundecane
• CAS No.: 101025-08-5
• Molecular Formula: C17H27Br
• Molecular Weight: 311.305
• DSSTox Substance ID: DTXSID60370837
• Wikidata: Q82157990
• Mol file: 101025-08-5.mol

Synonyms:101025-08-5;11-bromoundecylbenzene;1-BROMO-11-PHENYL UNDECANE;Benzene,(11-bromoundecyl)-;1-bromo-11-phenyl-undecane;Benzene, (11-bromoundecyl)-;1-Bromo-11-phenylundecane;(11-bromoundecyl)benzene;SCHEMBL2404356;DTXSID60370837;AKOS015912010;FT-0642444

Chemical Property of 1-Bromo-11-phenylundecane

Chemical Property:

• Vapor Pressure: 2.51E-05mmHg at 25°C
• Refractive Index: 1.512
• Boiling Point: 369.5 °C at 760 mmHg
• Flash Point: 179.1 °C
• PSA: 0.00000
• Density: 1.096 g/cm³
• LogP: 6.13490
• XLogP3: 8.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 11
• Exact Mass: 310.12961
• Heavy Atom Count: 18
• Complexity: 161

Purity/Quality:

98%min ^*data from raw suppliers

1-BROMO-11-PHENYL UNDECANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCCCCCCCCCCBr

Technology Process of 1-Bromo-11-phenylundecane

There total 14 articles about 1-Bromo-11-phenylundecane 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%

11-phenylundecylalcohol (61439-50-7) → 1-bromo-11-phenylundecane (101025-08-5)

Guidance literature:

With sulfuric acid; hydrogen bromide; for 24h; Heating;

Reference yield:

C22H36O2 (947611-27-0) → 1-bromo-11-phenylundecane (101025-08-5)

Guidance literature:

Multi-step reaction with 2 steps

1: toluene-4-sulfonic acid / methanol / 4 h / 0 - 20 °C / Inert atmosphere

2: carbon tetrabromide; triphenylphosphine / dichloromethane / 4 h / 0 - 20 °C / Inert atmosphere

With carbon tetrabromide; toluene-4-sulfonic acid; triphenylphosphine; In methanol; dichloromethane;

DOI:10.1002/anie.202113667

Reference yield:

2-[(11-bromoundecyl)oxy]tetrahydro-2H-pyran (52056-69-6) → 1-bromo-11-phenylundecane (101025-08-5)

Guidance literature:

Multi-step reaction with 3 steps

1: tetrahydrofuran / 2 h / -78 - 20 °C / Inert atmosphere

2: toluene-4-sulfonic acid / methanol / 4 h / 0 - 20 °C / Inert atmosphere

3: carbon tetrabromide; triphenylphosphine / dichloromethane / 4 h / 0 - 20 °C / Inert atmosphere

With carbon tetrabromide; toluene-4-sulfonic acid; triphenylphosphine; In tetrahydrofuran; methanol; dichloromethane;

DOI:10.1002/anie.202113667

upstream raw materials:

11-phenylundecylalcohol

1,11-dibromoundecane

phenyllithium

ethyl 6-chloro-6-oxohexanoate

Downstream raw materials:

1,14-Diphenyl-tetradecadien-(1,3)

triphenyl(11-phenylundecyl)phosphonium bromide

p-[(11-phenylundecyl)amino]benzoic acid

[4-(11-acetylsulfanylundecyl)phenyl](2-methylphenyl)methanone