4-Octyloxyphenylboronic acid

Base Information

• Chemical Name: 4-Octyloxyphenylboronic acid
• CAS No.: 121554-09-4
• Molecular Formula: C14H23BO3
• Molecular Weight: 250.146
• Hs Code.: 2931900090
• European Community (EC) Number: 835-022-7
• DSSTox Substance ID: DTXSID30398346
• Nikkaji Number: J1.157.256A
• Wikidata: Q82200248
• Mol file: 121554-09-4.mol

Synonyms:121554-09-4;4-Octyloxyphenylboronic acid;(4-(Octyloxy)phenyl)boronic acid;4-(n-Octyloxy)benzeneboronic acid;4-(octyloxy)phenylboronic acid;(4-octoxyphenyl)boronic Acid;Boronic acid, [4-(octyloxy)phenyl]-;(4-Octyloxyphenyl)boronic acid;MFCD00982004;[4-(octyloxy)phenyl]boronic acid;(4-(Octyloxy)phenyl)boronicacid;Boronic acid, B-[4-(octyloxy)phenyl]-;4-octyloxybenzeneboronic acid;4-octyloxy-phenylboronic acid;(4-Octyloxyphenyl)boranic acid;4-n-Octyloxyphenylboronic Acid;SCHEMBL2671160;DTXSID30398346;WABZSVITXOJJKH-UHFFFAOYSA-N;BCP21808;AKOS004116255;AB07893;CS-W012645;DS-2164;SY056796;FT-0656435;O0462;A804754;J-515896;(4-octoxyphenyl)boronic acid;4-(Octyloxy)phenylboronic Acid

Chemical Property of 4-Octyloxyphenylboronic acid

Chemical Property:

• Melting Point: 88-90℃
• Boiling Point: 395.2 °C at 760 mmHg
• PKA: 8.72±0.16(Predicted)
• Flash Point: 192.8 °C
• PSA: 49.69000
• Density: 1.02 g/cm³
• LogP: 2.10570
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: soluble in Methanol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 250.1740248
• Heavy Atom Count: 18
• Complexity: 192

Purity/Quality:

99% ^*data from raw suppliers

(4-(Octyloxy)phenyl)boronicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC=C(C=C1)OCCCCCCCC)(O)O
• Uses: suzuki reaction

Technology Process of 4-Octyloxyphenylboronic acid

There total 12 articles about 4-Octyloxyphenylboronic 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: 100.0%

1-bromo-4-octyloxybenzene (96693-05-9) → 4-(n-octyloxy)phenylboronic acid (121554-09-4)

Guidance literature:

1-bromo-4-octyloxybenzene; With n-butyllithium; Trimethyl borate;

With hydrogenchloride;

DOI:10.1080/10587250108025293

Reference yield:

Trimethyl borate (121-43-7,63156-11-6) + 1-bromo-4-octyloxybenzene (96693-05-9) → 4-(n-octyloxy)phenylboronic acid (121554-09-4)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; N2; BuLi dropping into org. compd. soln. at -78°C, mixt. keeping 3 h, B-compd. soln. addn. dropwise at -78°C, mixt. allowing to warm to room temp. overnight , stirring 1 h with 10% HCl, extn. (Et2O); org. extracts washing (water), drying, solvent vac. removal;

DOI:10.1039/a903058a

Reference yield:

Triisopropyl borate (5419-55-6) + 1-bromo-4-octyloxybenzene (96693-05-9) → 4-(n-octyloxy)phenylboronic acid (121554-09-4)

Guidance literature:

With magnesium; In tetrahydrofuran;

upstream raw materials:

1-bromo-4-octyloxybenzene

4-bromo-phenol

1-bromo-octane

Triisopropyl borate

Downstream raw materials:

2,5-bis(4-octyloxyphenyl)pyrimidine

2-fluoro-3-(4-n-octyloxyphenyl)pyrazine

Refernces

• 1、 Karanl?k, Gürkan,Ocak, Hale,Bilgin Eran, Belk?z. "New pyridine based liquid crystalline esters with different terminal chains". . . Retrieved 2019/08/22.
• 2、 -. "Metal-containing dendrimers". . . Retrieved 2009/09/29.