4-Butoxy-3-fluorophenylboronic acid

Base Information

• Chemical Name: 4-Butoxy-3-fluorophenylboronic acid
• CAS No.: 156487-13-7
• Molecular Formula: C10H14 B F O3
• Molecular Weight: 212.029
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID00584279
• Wikidata: Q82475910
• Mol file: 156487-13-7.mol

Synonyms:4-Butoxy-3-fluorophenylboronic acid;156487-13-7;(4-Butoxy-3-fluorophenyl)boronic acid;Boronic acid, B-(4-butoxy-3-fluorophenyl)-;(4-Butoxy-3-fluorophenyl)boronicacid;(4-Butoxy-3-fluoro-phenyl)boronic acid;SCHEMBL177383;DTXSID00584279;JVHCUZXLXOUYHX-UHFFFAOYSA-N;MFCD06411286;AKOS004114044;AB25193;AS-65325;BP-12116;CS-0152091;Y13467;A883571

Chemical Property of 4-Butoxy-3-fluorophenylboronic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 91-96 °C(lit.)
• Refractive Index: 1.496
• Boiling Point: 351.6°C at 760 mmHg
• Flash Point: 166.442°C
• PSA: 49.69000
• Density: 1.155g/cm³
• LogP: 0.68440
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 212.1020026
• Heavy Atom Count: 15
• Complexity: 180

Purity/Quality:

97% ^*data from raw suppliers

4-Butoxy-3-fluorophenylboronicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 4-Butoxy-3-fluorophenylboronic acid

There total 2 articles about 4-Butoxy-3-fluorophenylboronic 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: 66.0%

Trimethyl borate (121-43-7,63156-11-6) + 4-bromo-1-butoxy-2-fluorobenzene (54509-63-6) → 4-butoxy-3-fluorophenylboronic acid (156487-13-7)

Guidance literature:

4-bromo-1-butoxy-2-fluorobenzene; With n-butyllithium; In tetrahydrofuran; at -70 ℃; for 2h; Inert atmosphere;

Trimethyl borate; In tetrahydrofuran; at -70 - 20 ℃; for 16h;

With water; hydrogenchloride; In tetrahydrofuran;

Reference yield:

4-bromo-2-fluorophenol (2105-94-4) → 4-butoxy-3-fluorophenylboronic acid (156487-13-7)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium hydroxide / tetrabutylammomium bromide / water / 6 h / 80 °C / Inert atmosphere

2.1: n-butyllithium / tetrahydrofuran / 2 h / -70 °C / Inert atmosphere

2.2: 16 h / -70 - 20 °C

With n-butyllithium; sodium hydroxide; tetrabutylammomium bromide; In tetrahydrofuran; water;

Reference yield: 62.0%

4-butoxy-3-fluorophenylboronic acid (156487-13-7) + diethyl ethylidenemalonate (1462-12-0) → C19H27FO5

Guidance literature:

With lumiflavin; ammonium formate; In acetic acid methyl ester; water; for 16h; pH=7.8; Inert atmosphere; Irradiation;

DOI:10.1021/acscatal.0c03422

upstream raw materials:

Trimethyl borate

4-bromo-1-butoxy-2-fluorobenzene

4-bromo-2-fluorophenol

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