4-Hexyloxyphenylboronic acid

Base Information

• Chemical Name: 4-Hexyloxyphenylboronic acid
• CAS No.: 121219-08-7
• Molecular Formula: C12H19BO3
• Molecular Weight: 222.092
• Hs Code.: 29319090
• European Community (EC) Number: 805-843-5
• DSSTox Substance ID: DTXSID80394979
• Nikkaji Number: J2.791.884K
• Wikidata: Q82194714
• Mol file: 121219-08-7.mol

Synonyms:4-Hexyloxyphenylboronic acid;121219-08-7;(4-hexoxyphenyl)boronic Acid;4-(n-Hexyloxy)benzeneboronic acid;B-[4-(Hexyloxy)phenyl]boronic acid;4-(hexyloxy)phenylboronic acid;4-Hexyloxybenzeneboronic Acid;(4-(hexyloxy)phenyl)boronic acid;MFCD04039027;Boronic acid,B-[4-(hexyloxy)phenyl]-;[4-(hexyloxy)phenyl]boronic acid;4-Hexyloxyphenylboronic Acid (contains varying amounts of Anhydride);(4-Hexyloxyphenyl)boronic acid;4-(n-Hexyl-1-oxy)phenylboronic acid;4-Hexyloxybenzeneboronic acid;Para-hexyloxyphenylboronic acid;p-Hexyloxyphenylboronic acid;C12H19BO3;4-(N-HEXYLOXY)PHENYLBORONIC ACID;4-hexyloxybenzene boronic acid;4-n-Hexyloxyphenylboronic acid;4-(Hexyloxy)phenylboranic acid;SCHEMBL2354047;DTXSID80394979;XYNVLFGOOWUKQS-UHFFFAOYSA-N;WEA21908;AKOS004116214;4-[(Hex-1-yl)oxy]benzeneboronic acid;AB17282;PS-9725;SY057245;CS-0020018;FT-0652478;H1357;N11992;A804693;J-515450

Chemical Property of 4-Hexyloxyphenylboronic acid

Chemical Property:

• Vapor Pressure: 4.4E-06mmHg at 25°C
• Melting Point: 85°C(lit.)
• Refractive Index: 1.505
• Boiling Point: 368.594 °C at 760 mmHg
• Flash Point: 176.72 °C
• PSA: 49.69000
• Density: 1.05 g/cm³
• LogP: 1.32550
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: soluble in Methanol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 222.1427246
• Heavy Atom Count: 16
• Complexity: 168

Purity/Quality:

99% ^*data from raw suppliers

4-Hexyloxyphenylboronicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37-60

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Hexyloxyphenylboronic acid

There total 9 articles about 4-Hexyloxyphenylboronic 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: 80.0%

1-bromo-4-hexyloxylbenzene (30752-19-3) → 4-hexyloxyphenylboronic acid (121219-08-7)

Guidance literature:

1-bromo-4-hexyloxylbenzene; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 1.16667h; Inert atmosphere;

With Triisopropyl borate; In tetrahydrofuran; hexane; at -78 - 20 ℃; Inert atmosphere;

With hydrogenchloride; water; In tetrahydrofuran; hexane;

DOI:10.1021/ja9033846

Reference yield: 23.0%

Trimethyl borate (121-43-7,63156-11-6) + 1-bromo-4-hexyloxylbenzene (30752-19-3) → 4-hexyloxyphenylboronic acid (121219-08-7)

Guidance literature:

1-bromo-4-hexyloxylbenzene; With n-butyllithium; In diethyl ether; hexane; at -78 - 0 ℃; for 1.08333h; Inert atmosphere;

Trimethyl borate; In diethyl ether; hexane; at -78 - 20 ℃; for 3.5h; Inert atmosphere;

With hydrogenchloride; water; In diethyl ether; hexane; for 0.75h;

DOI:10.1021/acs.jmedchem.7b00693

Reference yield:

C18H31BO3 → 4-hexyloxyphenylboronic acid (121219-08-7)

Guidance literature:

With water; In tetrahydrofuran; hexane; at 20 ℃;

DOI:10.1039/c0cc02339f

upstream raw materials:

1-bromo-4-hexyloxylbenzene

4-bromo-phenol

1-bromo-hexane

Trimethyl borate

Refernces

• 1、 Sayama, Misa,Inoue, Asuka,Nakamura, Sho,Jung, Sejin,Ikubo, Masaya,Otani, Yuko,Uwamizu, Akiharu,Kishi, Takayuki,Makide, Kumiko,Aoki, Junken,Hirokawa, Takatsugu,Ohwada, Tomohiko. "Probing the Hydrophobic Binding Pocket of G-Protein-Coupled Lysophosphatidylserine Receptor GPR34/LPS1 by Docking-Aided Structure-Activity Analysis". . p. 6384 - 6399. Retrieved 2017/08/02.
• 2、 Nenajdenko, Valentine G.,Goldberg, Aleksey A.,Muzalevskiy, Vasily M.,Balenkova, Elizabeth S.,Shastin, Aleksey V.. "Design and synthesis of a new family of fluorinated liquid crystals". supporting information. p. 2370 - 2383. Retrieved 2013/03/28.