1041434-13-2

Basic information

• Product Name: 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isophthalic acid
• Synonyms: 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isophthalic acid;3,5-Dicarboxyphenylboronic acid, pinacol ester;3,5-DICARBOXYBENZENEBORONIC ACID PINACOL ESTER
• CAS NO: 1041434-13-2
• Molecular Formula: C₁₄H₁₇BO₆
• Molecular Weight: 292.09218
• Mol File: 1041434-13-2.mol
• Article Data: 1

Chemical Properties

• Melting Point: >300 °C(Solv: ethyl ether (60-29-7))
• Boiling Point: 504.9±45.0 °C(Predicted)
• Appearance: /
• Density: 1.29±0.1 g/cm3(Predicted)
• Storage Temp.: Room temperature.
• PKA: 3.53±0.10(Predicted)
• CAS DataBase Reference: 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isophthalic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isophthalic acid(1041434-13-2)
• EPA Substance Registry System: 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isophthalic acid(1041434-13-2)

Safety Data

• Hazardous Substances Data: 1041434-13-2(Hazardous Substances Data)

Usage

General Description

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isophthalic acid is a chemical compound that belongs to the class of boronic acids which signifies the presence of boron within its molecular structure. Boronic acids are widely utilized in organic chemistry since they can readily form boron-carbon bonds. The compound possesses the foundational structural unit of isophthalic acid, hinting at potential uses in the manufacturing of resins or polyesters. The tetramethyl dioxaborolane group in its structure may potentially impart an augmented level of stability to the entire molecule. However, any specific physical properties, reactivity or specific applications of this exact chemical would require further research.

Upstream product

• 881302-73-4 benzene-1,3-dicarboxylic-5-boronic triacid 
• 76-09-5 2,3-dimethyl-2,3-butane diol 

Relevant articles and documents

Tailoring a bacteriochlorin building block with cationic, amphipathic, or lipophilic substituents

(Chemical Equation Presented) Bacteriochlorins are attractive candidates for photodynamic therapy (PDT) of diverse medical indications owing to their strong absorption in the near-infrared (NIR) region, but their use has been stymied by lack of access to stable, synthetically malleable molecules. To overcome these limitations, a synthetic free base 3,13-dibromobacteriochlorin (BC-Br3Br13) has been exploited as a building block in the synthesis of diverse bacteriochlorins via Pd-mediated coupling reactions (Sonogashira, Suzuki, and reductive carbonylation). Each bacteriochlorin is stable to adventitious dehydrogenation by virtue of the presence of a geminal dimethyl group in each pyrroline ring. The target bacteriochlorins bear cationic, lipophilic, or amphipathic substituents at the 3- and 13- (β-pyrrolic) positions. A dicarboxybacteriochlorin was converted to amide derivatives via the intermediate diacid chloride. A diformylbacteriochlorin was subjected to reductive amination to give aminomethyl derivatives. A set of 3,5-disubstituted aryl groups bearing lipophilic or amphipathic groups was introduced via Suzuki coupling. Altogether 22 free base bacteriochlorins have been prepared. Eight aminoalkylbacteriochlorins were quaternized with methyl iodide at two or four amine sites per molecule, which resulted in water solubility. Each bacteriochlorin exhibits a Qy absorption band in the range of 720-772 nm. The ability to introduce a wide variety of peripheral functional groups makes these bacteriochlorins attractive candidates for diverse applications in photomedicine including PDT in the NIR region.