105365-50-2

Basic information

• Product Name: 4-N-HEXYLBENZENEBORONIC ACID
• Synonyms: 4-N-HEXYLBENZENEBORONIC ACID;4-N-HEXYLPHENYLBORONIC ACID;AKOS BRN-0153;4-hexylphenylboronic acid;4-(Hex-1-yl)benzeneboronic acid;1-Borono-4-(hex-1-yl)benzene;4-HEXYLBENZENEBORONIC ACID;Boronic acid,B-(4-hexylphenyl)-
• CAS NO: 105365-50-2
• Molecular Formula: C₁₂H₁₉BO₂
• Molecular Weight: 206.09
• Mol File: 105365-50-2.mol
• Article Data: 10

Chemical Properties

• Boiling Point: 342.6°Cat760mmHg
• Flash Point: 161°C
• Appearance: /Solid
• Density: 1g/cm³
• Vapor Pressure: 2.87E-05mmHg at 25°C
• Refractive Index: 1.506
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility: soluble in Methanol
• PKA: 8.73±0.16(Predicted)
• CAS DataBase Reference: 4-N-HEXYLBENZENEBORONIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 4-N-HEXYLBENZENEBORONIC ACID(105365-50-2)
• EPA Substance Registry System: 4-N-HEXYLBENZENEBORONIC ACID(105365-50-2)

Safety Data

• Hazard Codes: Xi
• Hazardous Substances Data: 105365-50-2(Hazardous Substances Data)

Usage

General Description

4-N-HEXYLBENZENEBORONIC ACID is a chemical compound containing a boronic acid functional group, with a hexyl chain attached to the benzene ring at the para position. It is commonly used in organic synthesis as a reagent for the formation of carbon-carbon and carbon-heteroatom bonds, particularly in the Suzuki-Miyaura cross-coupling reaction. 4-N-HEXYLBENZENEBORONIC ACID is known for its ability to selectively react with certain target molecules, making it a valuable tool in the development of pharmaceuticals, agrochemicals, and materials science. It is important to handle 4-N-HEXYLBENZENEBORONIC ACID with care, as it is a corrosive substance and can cause irritation to the skin, eyes, and respiratory tract.

InChI:InChI=1/C12H19BO2/c1-2-3-4-5-6-11-7-9-12(10-8-11)13(14)15/h7-10,14-15H,2-6H2,1H3

Upstream product

• 1355339-91-1 C₁₄H₂₃BO₂ 
• 121-43-7 Trimethyl borate 
• 23703-22-2 1-bromo-4-n-hexylbenzene 
• 7647-01-0 hydrogenchloride 
• 7732-18-5 water 

Downstream Products

• 1145659-02-4 4',6'-bis-(p-(dodecyloxy)phenylethynyl)-4,4''-dihexyl-[1,1':3',1'']terphenyl 
• 1221909-94-9 4-(n-hexyl)phenylboronic acid sodium salt 
• 1422195-67-2 C₃₃H₃₅N₃O₄ 
• 1373040-40-4 C₂₇H₂₇N 
• 1442482-75-8 3,6-bis(5-(4-hexyl-phenyl)-2-thienyl)-2,5-bis(2-ethylhexyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione 
• 1149379-22-5 2,2-dimethyl-1,3-propanediyl 4-hexylphenylboronate 

Relevant articles and documents

Aryl trihydroxyborates: Easily isolated discrete species convenient for direct application in coupling reactions

A conceptually and practically simple alternative approach to the use of arylboron species as the organometallic component in cross-coupling processes is described whereby trihydroxyborate salts are isolated and directly employed. The protocol derives practical benefit from the ease and convenience of the isolation and subsequent use of the discrete borate salts, eliminates the need for additional base, and aids the use of correct reaction stoichiometry.

A green, efficient, and rapid procedure for the hydrogenation of nitroarenes to formanilides in water

Abstract: A green, efficient, and rapid procedure for the hydrogenation of nitroarenes to formanilides in Pd(TFA)2/HCOOH system in water is described. Under optimized conditions, the reaction of most substrates is complete within 30?min with yields of 30–93%. Furthermore, this procedure is applied successfully for the modification of natural products, such as arctigenin, vindoline, and estrone. Graphical abstract: [Figure not available: see fulltext.].

Organometallic complex, organometallic complex-containing composition, light-emitting material, organic electroluminescent element material, organic electroluminescent element, and an organic EL display EL lighting org.

PROBLEM TO BE SOLVED: To provide organic metal complexes that can retain high performance in life, durability and the like of organic electroluminescent elements. SOLUTION: An iridium complex obtained from a 2-(3'-biphenyl)-pyridine derivative in which a pyridine group and/or a phenyl group at 3'-position has at least one ≥5C alkyl group as a substituent is provided. The iridium complex, for example, is an iridium complex D-3 synthesized by the reaction formula. COPYRIGHT: (C)2010,JPOandINPIT