4-Fluoro-2-methoxyphenylboronic acid

Base Information

• Chemical Name: 4-Fluoro-2-methoxyphenylboronic acid
• CAS No.: 179899-07-1
• Molecular Formula: C7H8BFO3
• Molecular Weight: 169.948
• Hs Code.: 29319090
• European Community (EC) Number: 690-489-2
• UNII: YX7R999XR8
• DSSTox Substance ID: DTXSID10382203
• Nikkaji Number: J3.445.366G
• Wikidata: Q72474209
• Mol file: 179899-07-1.mol

Synonyms:4-Fluoro-2-methoxyphenylboronic acid;179899-07-1;(4-fluoro-2-methoxyphenyl)boronic acid;2-Methoxy-4-fluorophenylboronic acid;4-FLUORO-2-METHOXYBENZENEBORONIC ACID;Boronic acid, (4-fluoro-2-methoxyphenyl)-;MFCD03788423;(4-fluoro-2-methoxy-phenyl)boronic Acid;B-(4-Fluoro-2-methoxyphenyl)boronic acid;YX7R999XR8;Boronic acid, B-(4-fluoro-2-methoxyphenyl)-;4-Fluoro-2-Methoxyphenyl-Boronic Acid;UNII-YX7R999XR8;SCHEMBL520857;DTXSID10382203;ADJBXDCXYMCCAD-UHFFFAOYSA-N;4-Fluoro-2-methoxyphenylboronicacid;AMY29827;CS-D1720;BBL102155;STL555954;4-fluoro-2-methoxy phenylboronic acid;4-fluoro-2-methoxy-phenylboronic acid;4-fluoro-2-methoxyphenyl boronic acid;AKOS000285086;4-fluoro-2-methoxybenzene boronic acid;AB15998;(2-methoxy-4-fluorophenyl)boronic acid;4-fluoro-2-methoxy-phenyl-boronic acid;(4-fluoro-2-methoxyphenyl)-boronic acid;AS-15075;SY015716;[4-fluoro-2-(methyloxy)phenyl]boronic acid;F1062;FT-0602667;EN300-173766;A812500;J-515340;Z1255379639;4-Fluoro-2-methoxyphenylboronic Acid (contains varying amounts of Anhydride)

Chemical Property of 4-Fluoro-2-methoxyphenylboronic acid

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Melting Point: 131-136 °C(lit.)
• Refractive Index: 1.504
• Boiling Point: 294.761 °C at 760 mmHg
• PKA: 8.69±0.58(Predicted)
• Flash Point: 132.067 °C
• PSA: 49.69000
• Density: 1.265 g/cm³
• LogP: -0.48590
• Storage Temp.: Inert atmosphere,Room Temperature
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 170.0550524
• Heavy Atom Count: 12
• Complexity: 145

Purity/Quality:

99% ^*data from raw suppliers

4-Fluoro-2-methoxyphenylboronic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39-36-60-37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=C(C=C(C=C1)F)OC)(O)O
• Uses: suzuki reaction Reactant involved in:Suzuki-Miyaura cross-coupling reactions for synthesis of heterobiarylsSuzuki and Still coupling for synthesis of antithrombotic drugsReactant / precursor used for the synthesis of biologically active molecules including:2-(4-pyridyl)thienopyridinones for use as GSK-3β inhibitorsArylheteroarylmethylamines as NR2B subtype of NMDA receptor antagonists with antidepressant activityBiphenylketones for use as dual modulators of inflammation and bone lossCB1 antagonists

Technology Process of 4-Fluoro-2-methoxyphenylboronic acid

There total 3 articles about 4-Fluoro-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: 82.0%

Trimethyl borate (121-43-7,63156-11-6) + 1-bromo-4-fluoro-2-methoxybenzene (450-88-4) → 4-fluoro-2-methoxyphenylboronic acid (179899-07-1)

Guidance literature:

With n-butyllithium; In tetrahydrofuran;

Reference yield: 54.0%

1-bromo-4-fluoro-2-methoxybenzene (450-88-4) → 4-fluoro-2-methoxyphenylboronic acid (179899-07-1)

Guidance literature:

1-bromo-4-fluoro-2-methoxybenzene; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.0833333h; Inert atmosphere;

With Trimethyl borate; In tetrahydrofuran; diethyl ether; hexane; at -50 ℃; for 0.5h; Inert atmosphere;

With hydrogenchloride; In tetrahydrofuran; diethyl ether; hexane; water; at 20 ℃;

DOI:10.1246/bcsj.20110309

Reference yield:

C9H12BFO3 → 4-fluoro-2-methoxyphenylboronic acid (179899-07-1)

Guidance literature:

With hydrogenchloride;

DOI:10.1016/S0960-894X(02)00460-2

upstream raw materials:

Trimethyl borate

1-bromo-4-fluoro-2-methoxybenzene

Downstream raw materials:

2,2'-dimethoxy-4,4'-difluorobiphenyl

C₃₆H₂₆F₂O₂P₂

C₃₆H₂₆F₂P₂

C₂₅H₂₅FN₄O₂

Refernces

• 1、 -. "Antiandrogenic biphenyls". . . Retrieved 2008/06/13.