(4-pentylphenyl)boronic Acid

Base Information

Chemical Name:(4-pentylphenyl)boronic Acid
CAS No.:121219-12-3
Molecular Formula:C11H17BO2
Molecular Weight:192.066
Hs Code.:29319090
European Community (EC) Number:681-163-0
ChEMBL ID:CHEMBL1952296
DSSTox Substance ID:DTXSID50404610
Nikkaji Number:J1.102.040B
Pharos Ligand ID:ZR7Y666HH5CF
Wikidata:Q72500114
Mol file:121219-12-3.mol

Synonyms:121219-12-3;(4-pentylphenyl)boronic Acid;4-n-Pentylphenylboronic acid;4-Pentylphenylboronic Acid;4-Pentylbenzeneboronic acid;4-N-PENTYLBENZENEBORONIC ACID;4-Amylbenzeneboronic Acid;MFCD00995151;CHEMBL1952296;Boronic acid, (4-pentylphenyl)-;4-Amylphenylboronic Acid;4-n-pentylphenyl boronic acid;AKOS BRN-0130;4-n-pentylbenzene boronic acid;SCHEMBL1509988;DTXSID50404610;UZRMPSOGFATLJE-UHFFFAOYSA-N;BCP22757;BDBM50364283;AKOS004116473;AB07922;BCP9000264;CS-W002722;GS-6717;4-N-Pentylphenylboronic acid, AldrichCPR;AC-24820;SY015715;AM20050555;FT-0619317;A804694;J-515894;(4-pentylphenyl)boronic acid

Suppliers and Price of (4-pentylphenyl)boronic Acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

AK Scientific
4-n-Pentylbenzeneboronicacid
1g
$ 10.00

AK Scientific
4-n-Pentylbenzeneboronicacid
100g
$ 180.00

Alfa Aesar
4-n-Pentylbenzeneboronic acid, 97%
5g
$ 564.00

Alfa Aesar
4-n-Pentylbenzeneboronic acid, 97%
1g
$ 149.00

Alfa Aesar
4-n-Pentylbenzeneboronic acid, 97%
250mg
$ 52.50

Alichem
4-Pentylphenylboronicacid
100g
$ 226.92

Alichem
4-Pentylphenylboronicacid
250g
$ 525.83

Ambeed
(4-Pentylphenyl)boronicacid 97%
100g
$ 144.00

Ambeed
(4-Pentylphenyl)boronicacid 97%
25g
$ 37.00

Ambeed
(4-Pentylphenyl)boronicacid 97%
5g
$ 11.00

Total 115 raw suppliers

Chemical Property of (4-pentylphenyl)boronic Acid

Chemical Property:

Appearance/Colour:tan powder
Vapor Pressure:7.85E-05mmHg at 25°C
Melting Point:290-295 °C(lit.)
Refractive Index:1.509
Boiling Point:328 °C at 760 mmHg
PKA:8.87±0.10(Predicted)
Flash Point:152.2 °C
PSA：40.46000
Density:1.01 g/cm³
LogP:1.09910
Storage Temp.:Keep in dark place,Sealed in dry,Room Temperature
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:192.1321599
Heavy Atom Count:14
Complexity:142

Purity/Quality:

99% ^*data from raw suppliers

4-n-Pentylbenzeneboronicacid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:B(C1=CC=C(C=C1)CCCCC)(O)O
Uses 4-Pentylphenylboronic Acid can be used for aryl coupling (in the presence of palladium) and Cannabinol (C175350)?synthesis. Intermediates of Liquid Crystals suzuki reaction

Technology Process of (4-pentylphenyl)boronic Acid

There total 7 articles about (4-pentylphenyl)boronic 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:

: 1359844-02-2
4,4,5,5-tetramethyl-2-(4-pentylphenyl)-1,3,2-dioxaborolane

: 121219-12-3
(4-pentylphenyl)boronic acid

Guidance literature:: 4,4,5,5-tetramethyl-2-(4-pentylphenyl)-1,3,2-dioxaborolane; With potassium hydrogen fluoride; In methanol; water; for 0.5h;

With chloro-trimethyl-silane; water; In acetonitrile; for 1h;
DOI:10.1016/j.bmcl.2011.12.043

Reference yield:

: 13675-18-8
tetrahydroxydiboron

: 33228-44-3
4-pentylaniline

: 121219-12-3
(4-pentylphenyl)boronic acid

Guidance literature:: 4-pentylaniline; With hydrogenchloride; sodium nitrite; In water; at 0 ℃; for 0.25h;

tetrahydroxydiboron; With potassium carbonate; In water; at 20 ℃; for 0.333333h;
DOI:10.1021/jo501665e

Reference yield:

: 4737-50-2
n-pentylboronic acid

: 121219-12-3
(4-pentylphenyl)boronic acid

Guidance literature:: Multi-step reaction with 5 steps

1.1: dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; potassium phosphate monohydrate; palladium diacetate / toluene

2.1: palladium on activated charcoal; hydrogen / ethanol

3.1: hydrogenchloride; sodium nitrite / water / Cooling with ice

4.1: dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; palladium diacetate; triethylamine / 1,4-dioxane / 80 °C

5.1: potassium hydrogen fluoride / methanol; water / 0.5 h

5.2: 1 h

With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; hydrogenchloride; potassium phosphate monohydrate; potassium hydrogen fluoride; palladium on activated charcoal; hydrogen; palladium diacetate; triethylamine; sodium nitrite; In 1,4-dioxane; methanol; ethanol; water; toluene; 1.1: Suzuki coupling;
DOI:10.1016/j.bmcl.2011.12.043