2,3-Difluorophenylboronic acid

Base Information

• Chemical Name: 2,3-Difluorophenylboronic acid
• CAS No.: 121219-16-7
• Molecular Formula: C6H5BF2O2
• Molecular Weight: 157.912
• Hs Code.: 29163990
• European Community (EC) Number: 601-759-6,685-121-2
• DSSTox Substance ID: DTXSID90370224
• Nikkaji Number: J720.576G
• Wikidata: Q72463760
• Mol file: 121219-16-7.mol

Synonyms:2,3-difluorophenylboronic acid

Chemical Property of 2,3-Difluorophenylboronic acid

Chemical Property:

• Appearance/Colour: off-white to light beige crystalline powder
• Vapor Pressure: 0.00257mmHg at 25°C
• Melting Point: 95 ºC (dec.)
• Refractive Index: 1.485
• Boiling Point: 274.8 ºC at 760 mmHg
• PKA: 7.29±0.58(Predicted)
• Flash Point: 120ºC
• PSA: 40.46000
• Density: 1.35 g/cm³
• LogP: -0.35540
• Storage Temp.: 0-6°C
• Solubility.: soluble in Methanol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 158.0350659
• Heavy Atom Count: 11
• Complexity: 134

Purity/Quality:

99% ^*data from raw suppliers

2,3-Difluorophenylboronic acid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=C(C(=CC=C1)F)F)(O)O
• Uses: suzuki reaction 2,3-Difluorophenylboronic acid is a useful reagent for the preparation of pharmaceutical and biologically active molecules. Intermediates of Liquid Crystals

Technology Process of 2,3-Difluorophenylboronic acid

There total 10 articles about 2,3-Difluorophenylboronic 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: 100.0%

C12H17BF2O2 → (2,3-difluorophenyl)boronic acid (121219-16-7)

Guidance literature:

With hydrogenchloride; at 20 ℃; for 1h;

DOI:10.1039/a902351h

Reference yield: 96.0%

C8H9BF2O2 → (2,3-difluorophenyl)boronic acid (121219-16-7)

Guidance literature:

With hydrogenchloride; In water; for 0.25h; pH=1;

Reference yield: 93.0%

Triisopropyl borate (5419-55-6) + ortho-difluorobenzene (367-11-3) → (2,3-difluorophenyl)boronic acid (121219-16-7)

Guidance literature:

ortho-difluorobenzene; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 1.16667h; Inert atmosphere;

Triisopropyl borate; In tetrahydrofuran; hexane; at -78 - 20 ℃; Inert atmosphere;

DOI:10.1039/c8tc06517a

upstream raw materials:

Trimethyl borate

ortho-difluorobenzene

1-bromo-3-chloro-5-fluorobenzene

Triisopropyl borate

Downstream raw materials:

2,3-difluorophenol

3-(2,3-difluorophenyl)benzaldehyde

(+/-)-{[5-chloro-7-(2,3-difluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl }amine

(+/-)-{[7-(2,3-difluorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]methyl}amine