2,4-Dimethylphenylboronic acid

Base Information

• Chemical Name: 2,4-Dimethylphenylboronic acid
• CAS No.: 55499-44-0
• Molecular Formula: C8H11BO2
• Molecular Weight: 149.985
• Hs Code.: 29319090
• European Community (EC) Number: 640-293-8
• DSSTox Substance ID: DTXSID50400738
• Nikkaji Number: J2.837.403H
• Wikidata: Q72471220
• Mol file: 55499-44-0.mol

Synonyms:2,4-Dimethylphenylboronic acid;55499-44-0;(2,4-dimethylphenyl)boronic Acid;2,4-Dimethylbenzeneboronic Acid;2,4-Dimethylphenylboronicacid;MFCD02683101;2,4-Dimethyl phenyl boronic acid;Boronic acid, (2,4-dimethylphenyl)-;2,4-Dimethylphenylboronic Acid ,98%;2,4-DIMETHYLBENZENEBORONICACID;m-Xylene-4-boronic Acid;SCHEMBL42414;2,4-dimethylphenyl boronic acid;2,4-dimethylbenzene boronic acid;DTXSID50400738;TYONHSPZXLFWKI-UHFFFAOYSA-N;(2,4-dimethyl-phenyl)boronic acid;BBL102089;STL555888;2,4-Dimethylphenylboronic acid, 95%;AKOS000285074;AB12317;CS-W007777;GS-6851;AC-24787;SY014633;A8029;AM20050330;D3514;FT-0640318;EN300-127169;J-507037;J-507246;Z336080238

Chemical Property of 2,4-Dimethylphenylboronic acid

Chemical Property:

• Melting Point: 149.98
• Boiling Point: 292.4 °C at 760 mmHg
• PKA: 8.92±0.58(Predicted)
• Flash Point: 130.7 °C
• PSA: 40.46000
• Density: 1.07 g/cm³
• LogP: -0.01680
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Water Solubility.: Slightly soluble in water
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 150.0852098
• Heavy Atom Count: 11
• Complexity: 127

Purity/Quality:

≥99.0% ^*data from raw suppliers

2,4-Dimethylphenylboronic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36/37/39-36/37-37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=C(C=C(C=C1)C)C)(O)O
• Uses: suzuki reaction

Technology Process of 2,4-Dimethylphenylboronic acid

There total 5 articles about 2,4-Dimethylphenylboronic 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:

Triisopropyl borate (5419-55-6) + 1-bromo-2,4-dimethylbenzene (583-70-0) → 2,4-dimethylbenzeneboronic acid (55499-44-0)

Guidance literature:

Triisopropyl borate; 1-bromo-2,4-dimethylbenzene; With magnesium; In tetrahydrofuran; for 2h; Inert atmosphere;

With hydrogenchloride; In water;

Reference yield:

tetrahydroxydiboron (13675-18-8) + 1-bromo-2,4-dimethylbenzene (583-70-0) → 2,4-dimethylbenzeneboronic acid (55499-44-0)

Guidance literature:

With [{Pd(μ-Cl){κ²-P,C-P(iPr)₂(OC₆H₃-2-Ph)}}₂]; sodium acetate; In dichloromethane; water; at 40 ℃; for 6h; Inert atmosphere;

DOI:10.1021/acs.joc.7b02771

Reference yield:

tris(2.4-dimethyl phenyl)boroxine → 2,4-dimethylbenzeneboronic acid (55499-44-0)

Guidance literature:

With water;

upstream raw materials:

water

Triisopropyl borate

1-bromo-2,4-dimethylbenzene

tetrahydroxydiboron

Downstream raw materials:

2-amino-4-chloro-6-(2,4-dimethyl-phenyl)-pyrimidine-5-carbaldehyde

6-chloro-4-(2,4-dimethylphenyl)-3-pyridazineamine

6-chloro-1-(2.4-dimethylphenyl)phthalazine

(2,4-dimethylphenyl)(thiophen-2-yl)methanone

Refernces

• 1、 -. "POLYMERIZABLE COMPOUND AND OPTICAL ANISOTROPIC BODY". Paragraph 0132-0133. . Retrieved 2016/10/08.