3,5-Difluoro-2-methoxyphenylboronic acid

Base Information

• Chemical Name: 3,5-Difluoro-2-methoxyphenylboronic acid
• CAS No.: 737000-76-9
• Molecular Formula: C7H7BF2O3
• Molecular Weight: 187.939
• Hs Code.: 29310099
• DSSTox Substance ID: DTXSID30370389
• Wikidata: Q82157586
• Mol file: 737000-76-9.mol

Synonyms:737000-76-9;3,5-Difluoro-2-methoxyphenylboronic acid;(3,5-difluoro-2-methoxyphenyl)boronic acid;3,5-Difluoro-2-methoxybenzeneboronic acid;MFCD03095353;Boronic acid, (3,5-difluoro-2-methoxyphenyl)-;(3,5-DIFLUORO-2-METHOXYPHENYL)BORONICACID;SCHEMBL2467633;DTXSID30370389;JXQHRWOUVJRCSR-UHFFFAOYSA-N;AKOS005254561;AB13704;GS-6319;BP-11434;SY122149;CS-0139537;EN300-316443;F10487;2-METHOXY-3,5-DIFLUOROPHENYLBORONIC ACID;A837902

Chemical Property of 3,5-Difluoro-2-methoxyphenylboronic acid

Chemical Property:

• Appearance/Colour: beige powder or chunks
• Vapor Pressure: 3.45E-05mmHg at 25°C
• Melting Point: 200 °C
• Refractive Index: 1.485
• Boiling Point: 339.9 °C at 760 mmHg
• PKA: 6.49±0.58(Predicted)
• Flash Point: 159.4 °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:

98%,99%, ^*data from raw suppliers

3,5-Difluoro-2-methoxyphenylboronicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC(=CC(=C1OC)F)F)(O)O

Technology Process of 3,5-Difluoro-2-methoxyphenylboronic acid

There total 1 articles about 3,5-Difluoro-2-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:

1-bromo-3,5-difluoro-2-methoxybenzene (202865-59-6) → (3,5-difluoro-2-methoxyphenyl)boronic acid (737000-76-9)

Guidance literature:

1-bromo-3,5-difluoro-2-methoxybenzene; With n-butyllithium; In tetrahydrofuran; diethyl ether; at -78 ℃; for 0.0333333h;

With Triisopropyl borate; In tetrahydrofuran; diethyl ether; at -78 - 20 ℃;

With hydrogenchloride; In tetrahydrofuran; diethyl ether; for 0.5h; Further stages.;

DOI:10.1039/b714091f

Reference yield: 92.0%

(3,5-difluoro-2-methoxyphenyl)boronic acid (737000-76-9) + 6-chloro-pyridazin-3-ylamine (5469-69-2) → C11H9F2N3O (1244590-66-6)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In ethanol; water; at 120 ℃; for 0.166667h; Inert atmosphere; Sealed vial; Microwave irradiation;

DOI:10.1039/c0ob00004c

Reference yield: 85.0%

(3,5-difluoro-2-methoxyphenyl)boronic acid (737000-76-9) + 3-iodo-7-((tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one (935659-63-5) → 2'-metoxy-3',5'-difluoro-7-(tetrahydropyran-2-yloxy)isoflavone (1125671-01-3)

Guidance literature:

With sodium carbonate; 5%-palladium/activated carbon; In 1,2-dimethoxyethane; water; at 45 ℃; for 3h;

upstream raw materials:

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

Downstream raw materials:

3,5-difluoro-2-methoxyphenol

2'-metoxy-3',5'-difluoro-7-(tetrahydropyran-2-yloxy)isoflavone

C₁₃H₈ClF₂NO₃

(3,5-difluoro-2-hydroxyphenyl)boronic acid

Refernces