3-Tolylboronic acid

Base Information

• Chemical Name: 3-Tolylboronic acid
• CAS No.: 17933-03-8
• Molecular Formula: C7H9BO2
• Molecular Weight: 135.958
• Hs Code.: 29163990
• DSSTox Substance ID: DTXSID60370054
• Nikkaji Number: J806.557H
• Wikidata: Q72509290
• Mol file: 17933-03-8.mol

Synonyms:m-tolylboronic acid;3-Methylphenyl boronic acid;3(or4,or2)-Methyl (or R) Phenyl boronic acid;3-Methylphenylboronic acid, 3-Tolylboronic acid, m-Tolylboronic acid;3-Methylpenylboronic acid;3-Tolyl boronic acid;

Chemical Property of 3-Tolylboronic acid

Chemical Property:

• Appearance/Colour: off-white crystal
• Vapor Pressure: 0.000954mmHg at 25°C
• Melting Point: 160-162 °C(lit.)
• Refractive Index: 1.527
• Boiling Point: 290.4 °C at 760 mmHg
• PKA: 8.63±0.10(Predicted)
• Flash Point: 129.4 °C
• PSA: 40.46000
• Density: 1.1 g/cm³
• LogP: -0.32520
• Storage Temp.: 0-6°C
• Water Solubility.: Slightly soluble in water
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 136.0695597
• Heavy Atom Count: 10
• Complexity: 106

Purity/Quality:

99% ^*data from raw suppliers

3-MethylphenylboronicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC(=CC=C1)C)(O)O
• Uses: suzuki reaction Suzuki coupling reactions

Technology Process of 3-Tolylboronic acid

There total 20 articles about 3-Tolylboronic 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: 95.0%

4,4,5,5-tetramethyl-2-m-tolyl-1,3,2-dioxaborolane (253342-48-2) → m-tolylboronic acid (17933-03-8)

Guidance literature:

With hydrogenchloride; polystyrene boronic acid; In acetonitrile; at 20 ℃; for 18h;

DOI:10.1016/j.tetlet.2004.07.014

Reference yield: 90.0%

Trimethyl borate (121-43-7,63156-11-6) + meta-bromotoluene (591-17-3) → m-tolylboronic acid (17933-03-8)

Guidance literature:

meta-bromotoluene; With iodine; magnesium; In tetrahydrofuran; at -50 ℃; Reflux;

Trimethyl borate; In tetrahydrofuran; Heating;

Reference yield: 88.0%

methanol (67-56-1) + diisopropylamine borane (55124-35-1) + meta-bromotoluene (591-17-3) → m-tolylboronic acid (17933-03-8)

Guidance literature:

diisopropylamine borane; With magnesium; phenylmagnesium bromide; In tetrahydrofuran; at 20 ℃; for 0.166667h;

meta-bromotoluene; In tetrahydrofuran; at 70 ℃;

methanol; Further stages;

DOI:10.1016/j.tet.2018.11.036

upstream raw materials:

triisobutyl borate

meta-bromotoluene

4,4,5,5-tetramethyl-2-m-tolyl-1,3,2-dioxaborolane

Triisopropyl borate

Downstream raw materials:

dimethoxy-m-tolyl-borane

3-Carboxyphenylboronic acid

2,4,6-tris(m-tolyl)boroxine

(3-(bromomethyl)phenyl)boronic acid

Refernces

Palladium nanoparticles catalyzed synthesis of benzofurans by a domino approach

10.1055/s-0034-1380463

The research explores the use of palladium nanoparticles (PdNPs) as a catalyst for the one-pot synthesis of benzofurans via Sonogashira cross-coupling reactions under ambient conditions. The purpose of this study is to develop an efficient and sustainable method for synthesizing benzofurans, which are important for their biological activities and presence in natural products. The researchers used ligand-free palladium nanoparticles stabilized by coordinating solvents, along with triphenylphosphine as a co-ligand and potassium carbonate (K2CO3) as a base. The key chemicals involved include methyl 4-hydroxy-3-iodobenzoate, 3-Tolylboronic acid, 2-iodophenol, various aryl- and alkylacetylenes, and phenylacetylene. The study concludes that PdNPs effectively catalyze the synthesis of a variety of benzofurans with good yields and can be recycled for up to four cycles without significant loss of activity.

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