1256345-76-2 Usage
Uses
Used in Organic Synthesis:
3-Isopropoxy-5-methylphenylboronic acid is utilized as a reagent in Suzuki-Miyaura coupling reactions, which are pivotal for the cross-coupling of aryl or vinyl halides with boronic acids. This process is essential for the formation of carbon-carbon bonds, a critical step in the synthesis of a wide range of organic compounds.
Used in Pharmaceutical Production:
As a valuable building block, 3-Isopropoxy-5-methylphenylboronic acid contributes to the development of pharmaceuticals. Its unique structure allows it to be a key component in the creation of new drugs, enhancing the diversity and effectiveness of medicinal compounds.
Used in Agrochemical Development:
3-Isopropoxy-5-methylphenylboronic acid also finds application in the agrochemical industry, where it serves as a fundamental component in the synthesis of various agrochemicals. Its role in creating new molecules can lead to the development of more effective and targeted pesticides or herbicides.
Used in Materials Science:
3-Isopropoxy-5-methylphenylboronic acid is employed in materials science for the production of advanced materials. Its integration into the molecular structure of these materials can impart specific properties, such as improved conductivity or enhanced stability.
Used as a Ligand in Metal Complex Formations:
3-Isopropoxy-5-methylphenylboronic acid also serves as a ligand in the formation of metal complexes. This application is significant in various chemical processes, as metal complexes can exhibit unique catalytic properties or be used in the development of new materials with specialized functions.
Used as a Precursor to Functionalized Phenylboronic Acids:
3-Isopropoxy-5-methylphenylboronic acid acts as a precursor to a variety of functionalized phenylboronic acids. These derivatives can be tailored for specific applications, broadening the scope of chemical reactions and products that can be synthesized from this starting material.
Check Digit Verification of cas no
The CAS Registry Mumber 1256345-76-2 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,2,5,6,3,4 and 5 respectively; the second part has 2 digits, 7 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 1256345-76:
(9*1)+(8*2)+(7*5)+(6*6)+(5*3)+(4*4)+(3*5)+(2*7)+(1*6)=162
162 % 10 = 2
So 1256345-76-2 is a valid CAS Registry Number.
1256345-76-2Relevant academic research and scientific papers
Enantiodivergent Fluorination of Allylic Alcohols: Data Set Design Reveals Structural Interplay between Achiral Directing Group and Chiral Anion
Neel, Andrew J.,Milo, Anat,Sigman, Matthew S.,Toste, F. Dean
supporting information, p. 3863 - 3875 (2016/04/09)
Enantioselectivity values represent relative rate measurements that are sensitive to the structural features of the substrates and catalysts interacting to produce them. Therefore, well-designed enantioselectivity data sets are information rich and can provide key insights regarding specific molecular interactions. However, if the mechanism for enantioselection varies throughout a data set, these values cannot be easily compared. This premise, which is the crux of free energy relationships, exposes a challenging issue of identifying mechanistic breaks within multivariate correlations. Herein, we describe an approach to addressing this problem in the context of a chiral phosphoric acid catalyzed fluorination of allylic alcohols using aryl boronic acids as transient directing groups. By designing a data set in which both the phosphoric and boronic acid structures were systematically varied, key enantioselectivity outliers were identified and analyzed. A mechanistic study was executed to reveal the structural origins of these outliers, which was consistent with the presence of several mechanistic regimes within the data set. While 2- and 4-substituted aryl boronic acids favored the (R)-enantiomer with most of the studied catalysts, meta-alkoxy substituted aryl boronic acids resulted in the (S)-enantiomer when used in combination with certain (R)-phosphoric acids. We propose that this selectivity reversal is the result of a lone pair-π interaction between the substrate ligated boronic acid and the phosphate. On the basis of this proposal, a catalyst system was identified, capable of producing either enantiomer in high enantioselectivity (77% (R)-2 to 92% (S)-2) using the same chiral catalyst by subtly changing the structure of the achiral boronic acid.
