4-Hexylphenylboronic acid

Base Information

• Chemical Name: 4-Hexylphenylboronic acid
• CAS No.: 105365-50-2
• Molecular Formula: C12H19 B O2
• Molecular Weight: 206.093
• Hs Code.: 2931900090
• European Community (EC) Number: 808-152-7
• DSSTox Substance ID: DTXSID70400715
• Nikkaji Number: J3.196.317F
• Wikidata: Q82203733
• Mol file: 105365-50-2.mol

Synonyms:4-Hexylphenylboronic acid;105365-50-2;(4-hexylphenyl)boronic Acid;4-n-Hexylphenylboronic acid;4-(Hex-1-yl)benzeneboronic acid;4-N-HEXYLBENZENEBORONIC ACID;Boronic acid, (4-hexylphenyl)-;MFCD04039029;Boronic acid,b-(4-hexylphenyl)-;4-HexylphenylboronicAcid;p-hexylphenylboronic acid;4-hexylbenzeneboronic acid;4-hexylphenyl-boronic acid;4-(n-hexyl)phenylboronic acid;SCHEMBL3136892;1-Dihydroxyboryl-4-hexylbenzene;DTXSID70400715;CFYBKGAFWFRFRJ-UHFFFAOYSA-N;AKOS004116074;AB17285;AS-18751;SY024035;CS-0111834;FT-0710437;H1489;EN300-7367994;A896029;J-515451

Chemical Property of 4-Hexylphenylboronic acid

Chemical Property:

• Vapor Pressure: 2.87E-05mmHg at 25°C
• Boiling Point: 342.6°Cat760mmHg
• PKA: 8.73±0.16(Predicted)
• Flash Point: 161°C
• PSA: 40.46000
• Density: 1g/cm³
• LogP: 1.48920
• 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: 2
• Rotatable Bond Count: 6
• Exact Mass: 206.1478100
• Heavy Atom Count: 15
• Complexity: 154

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-HexylphenylboronicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC=C(C=C1)CCCCCC)(O)O

Technology Process of 4-Hexylphenylboronic acid

There total 7 articles about 4-Hexylphenylboronic 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: 99.0%

1-bromo-4-n-hexylbenzene (23703-22-2) → 4-(n-hexyl)phenylboronic acid (105365-50-2)

Guidance literature:

1-bromo-4-n-hexylbenzene; With n-butyllithium; In tetrahydrofuran; hexane; at -75 ℃; for 2h; Inert atmosphere;

With hydrogenchloride; Trimethyl borate; In tetrahydrofuran; hexane; for 2.5h;

Reference yield: 99.0%

Trimethyl borate (121-43-7,63156-11-6) + 1-bromo-4-n-hexylbenzene (23703-22-2) + water (7732-18-5) → 4-(n-hexyl)phenylboronic acid (105365-50-2)

Guidance literature:

1-bromo-4-n-hexylbenzene; With n-butyllithium; In tetrahydrofuran; hexane; at -75 ℃; for 2h; Inert atmosphere;

Trimethyl borate; In tetrahydrofuran; hexane; for 2h; Inert atmosphere;

water; With hydrogenchloride; In tetrahydrofuran; hexane; for 0.5h; Inert atmosphere;

Reference yield: 94.0%

Trimethyl borate (121-43-7,63156-11-6) + 1-bromo-4-n-hexylbenzene (23703-22-2) + water (7732-18-5) → 4-(n-hexyl)phenylboronic acid (105365-50-2)

Guidance literature:

With palladium(II) trifluoroacetate; triphenylphosphine; In water; at 80 ℃; for 0.333333h; Sealed tube; Green chemistry;

DOI:10.1007/s00706-017-2071-0

upstream raw materials:

1-bromo-4-n-hexylbenzene

C₁₄H₂₃BO₂

hydrogenchloride

Trimethyl borate

Downstream raw materials:

4-(n-hexyl)phenylboronic acid sodium salt

Refernces

• 1、 Wang, Yingying,Zhan, Zhajun,Zhou, Yang,Lei, Min,Hu, Lihong. "A green, efficient, and rapid procedure for the hydrogenation of nitroarenes to formanilides in water". . p. 527 - 533. Retrieved 2018/01/27.
• 2、 -. "Cyanopyrimidine derivatives". Page/Page column 98. . Retrieved 2018/05/15.