4-(3,7-Dimethyloctyloxy)benzeneboronic acid

Base Information

• Chemical Name: 4-(3,7-Dimethyloctyloxy)benzeneboronic acid
• CAS No.: 209673-75-6
• Molecular Formula: C16H27BO3
• Molecular Weight: 278.2
• Mol file: 209673-75-6.mol

Synonyms:boronic acid, B-[4-[(3,7-dimethyloctyl)oxy]phenyl]-;

Chemical Property of 4-(3,7-Dimethyloctyloxy)benzeneboronic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.497
• Boiling Point: 411.158 °C at 760 mmHg
• PKA: 8.71±0.16(Predicted)
• Flash Point: 202.461 °C
• PSA: 49.69000
• Density: 1.001 g/cm³
• LogP: 2.59770

Purity/Quality:

99% ^*data from raw suppliers

4-(3,7-Dimethyloctyloxy)benzeneboronicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-(3,7-Dimethyloctyloxy)benzeneboronic acid

There total 5 articles about 4-(3,7-Dimethyloctyloxy)benzeneboronic acid 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:

Trimethyl borate (121-43-7,63156-11-6) + 1-bromo-4-((3,7-dimethyloctyl)oxy)benzene (209673-74-5) → (4-((3,7-dimethyloctyl)oxy)phenyl)-boronic acid (209673-75-6)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃;

DOI:10.1016/j.molstruc.2019.126930

Reference yield:

1-bromo-3,7-dimethyloctane (59965-20-7,72746-96-4,79434-89-2,3383-83-3) → (4-((3,7-dimethyloctyl)oxy)phenyl)-boronic acid (209673-75-6)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / butanone

2: n-butyllithium / hexane; tetrahydrofuran / -78 °C

With n-butyllithium; potassium carbonate; In tetrahydrofuran; hexane; butanone;

DOI:10.1016/j.molstruc.2019.126930

Reference yield:

tetrahydrogeraniol (106-21-8,59204-02-3) → (4-((3,7-dimethyloctyl)oxy)phenyl)-boronic acid (209673-75-6)

Guidance literature:

Multi-step reaction with 3 steps

1: hydrogen bromide; sulfuric acid; tetra(n-butyl)ammonium hydrogensulfate / water

2: potassium carbonate / butanone

3: n-butyllithium / hexane; tetrahydrofuran / -78 °C

With n-butyllithium; sulfuric acid; hydrogen bromide; tetra(n-butyl)ammonium hydrogensulfate; potassium carbonate; In tetrahydrofuran; hexane; water; butanone;

DOI:10.1016/j.molstruc.2019.126930

upstream raw materials:

1-bromo-4-((3,7-dimethyloctyl)oxy)benzene

Trimethyl borate

1-bromo-3,7-dimethyloctane

tetrahydrogeraniol

Refernces

• 1、 Tlach, Brian C.,Tomlinson, Aimee L.,Ryno, Alden G.,Knoble, Dawn D.,Drochner, Dana L.,Krager, Kyle J.,Jeffries-El, Malika. "Influence of conjugation axis on the optical and electronic properties of aryl-substituted benzobisoxazoles". . p. 6570 - 6581. Retrieved 2013/07/26.