2,6-Difluoro-3-methoxyphenylboronic acid

Base Information

• Chemical Name: 2,6-Difluoro-3-methoxyphenylboronic acid
• CAS No.: 870779-02-5
• Molecular Formula: C7H7BF2O3
• Molecular Weight: 187.939
• Hs Code.: 2931900090
• European Community (EC) Number: 675-648-6
• DSSTox Substance ID: DTXSID50382449
• Wikidata: Q82173812
• Mol file: 870779-02-5.mol

Synonyms:2,6-Difluoro-3-methoxyphenylboronic acid;870779-02-5;2,6-difluoro-3-methoxybenzeneboronic acid;(2,6-difluoro-3-methoxyphenyl)boronic acid;2,6-Difluoro-5-methoxyphenylboronic acid;Boronic acid,B-(2,6-difluoro-3-methoxyphenyl)-;2,6-Difluoro-3-methoxybenzeneboronicacid;SCHEMBL319245;DTXSID50382449;WSRQWTCBDHWVGY-UHFFFAOYSA-N;MFCD06657880;AKOS006222516;AB25710;CS-W016836;PS-9516;2,6-Difluoro-3-methoxyphenylboronicacid;2,6-difluoro-3-methoxy-phenylboronic acid;2,6-difluoro-3-methoxyphenyl boronic acid;D5006;FT-0651946;N11946;EN300-7372667;2,6-Difluoro-3-methoxyphenylboronic acid, >=95%;A841939;J-507465;Z1203162313;2,6-Difluoro-3-methoxyphenylboronic Acid (contains varying amounts of Anhydride)

Chemical Property of 2,6-Difluoro-3-methoxyphenylboronic acid

Chemical Property:

• Vapor Pressure: 5.69E-05mmHg at 25°C
• Melting Point: 112-114 °C
• Refractive Index: 1.485
• Boiling Point: 332.7 °C at 760 mmHg
• Flash Point: 155 °C
• PSA: 49.69000
• Density: 1.35 g/cm³
• LogP: -0.34680
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 188.0456306
• Heavy Atom Count: 13
• Complexity: 170

Purity/Quality:

99% ^*data from raw suppliers

2,6-Difluoro-3-methoxyphenylboronic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=C(C=CC(=C1F)OC)F)(O)O
• Uses: suzuki reaction

Technology Process of 2,6-Difluoro-3-methoxyphenylboronic acid

There total 2 articles about 2,6-Difluoro-3-methoxyphenylboronic 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: 43.0%

1-bromo-3,5-difluoro-2-methoxybenzene (202865-59-6) → (2,6-difluoro-3-methoxyphenyl)boronic acid (870779-02-5)

Guidance literature:

1-bromo-3,5-difluoro-2-methoxybenzene; With n-butyllithium; In tetrahydrofuran; at -78 ℃; for 0.333333h;

With Triisopropyl borate; In tetrahydrofuran; at -78 ℃; for 1h;

With hydrogenchloride; In tetrahydrofuran; at -78 - 20 ℃; Further stages.;

DOI:10.1039/b714091f

Reference yield: 43.0%

1-bromo-3,5-difluoro-2-methoxybenzene (202865-59-6) + Triisopropyl borate (5419-55-6) + water (7732-18-5) → (2,6-difluoro-3-methoxyphenyl)boronic acid (870779-02-5)

Guidance literature:

With hydrogenchloride; n-butyllithium; In tetrahydrofuran; reacting aryl bromide with n-butyllithium in THF at -78°C, addn. of boron compd., reaction with aq. HCl;

DOI:10.1039/b714091f

Reference yield: 88.0%

(2,6-difluoro-3-methoxyphenyl)boronic acid (870779-02-5) → 2,6-difluoro-3-methoxyphenol (886498-60-8)

Guidance literature:

With dihydrogen peroxide; acetic acid; In tetrahydrofuran; water; at 0 - 20 ℃;

upstream raw materials:

1-bromo-3,5-difluoro-2-methoxybenzene

Triisopropyl borate

water

Downstream raw materials:

2,6-difluoro-3-methoxyphenol

C₂HF₃O₂*C₂₈H₃₂F₂N₄O₄S

5-(2,6-difluoro-3-methoxyphenyl)-N-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide

N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-2-(2,6-difluoro-3-methoxyphenyl)thiazole-4-carboxamide