4-Ethoxy-3-fluorophenylboronic acid

Base Information

• Chemical Name: 4-Ethoxy-3-fluorophenylboronic acid
• CAS No.: 279263-10-4
• Molecular Formula: C8H10BFO3
• Molecular Weight: 183.975
• Hs Code.: 2931900090
• European Community (EC) Number: 805-284-7
• DSSTox Substance ID: DTXSID70382320
• Wikidata: Q72471624
• Mol file: 279263-10-4.mol

Synonyms:4-Ethoxy-3-fluorophenylboronic acid;279263-10-4;(4-ethoxy-3-fluorophenyl)boronic acid;4-Ethoxy-3-fluorobenzeneboronic acid;(4-ethoxy-3-fluoro)phenylboronic acid;Boronic acid, (4-ethoxy-3-fluorophenyl)-;MFCD04115667;4-Ethoxy-3-fluorophenylboronicacid;3-fluoro-4-ethoxyphenyl boronic acid;SCHEMBL8351;DTXSID70382320;ZONJMULNQBNBGU-UHFFFAOYSA-N;3-fluoro-4-ethoxyphenylboronic acid;AKOS004119245;AM86827;CS-W017023;PS-9526;E1124;FT-0646088;I12374;EN300-2613269;A819252;J-515265;Z1255458150

Chemical Property of 4-Ethoxy-3-fluorophenylboronic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 108-113 C
• Refractive Index: 1.501
• Boiling Point: 328.119 °C at 760 mmHg
• PKA: 7.90±0.10(Predicted)
• Flash Point: 152.241 °C
• PSA: 49.69000
• Density: 1.22 g/cm³
• LogP: -0.09580
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: soluble in Methanol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 184.0707025
• Heavy Atom Count: 13
• Complexity: 156

Purity/Quality:

99% ^*data from raw suppliers

4-Ethoxy-3-fluorophenylboronic acid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Ethoxy-3-fluorophenylboronic acid

There total 3 articles about 4-Ethoxy-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: 87.0%

Trimethyl borate (121-43-7,63156-11-6) + 3-fluoro-4-ethoxy bromobenzene (115467-08-8) → (4-ethoxy-3-fluorophenyl)boronic acid (279263-10-4)

Guidance literature:

3-fluoro-4-ethoxy bromobenzene; With magnesium; In tetrahydrofuran; at 20 ℃; for 2h; Inert atmosphere;

Trimethyl borate; In tetrahydrofuran; for 12h;

With hydrogenchloride; In tetrahydrofuran; water; at 0 ℃; for 2h;

Reference yield:

3-fluoro-4-ethoxy bromobenzene (115467-08-8) → (4-ethoxy-3-fluorophenyl)boronic acid (279263-10-4)

Guidance literature:

3-fluoro-4-ethoxy bromobenzene; With magnesium; In tetrahydrofuran; at 40 - 60 ℃; for 1h; Heating / reflux;

With Trimethyl borate; In tetrahydrofuran; at -70 - 20 ℃; for 24h;

With hydrogenchloride; In tetrahydrofuran; water; at 5 ℃;

Reference yield:

4-bromo-2-fluorophenol (2105-94-4) → (4-ethoxy-3-fluorophenyl)boronic acid (279263-10-4)

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; tetrabutylammomium bromide; sodium hydroxide; In tetrahydrofuran; water;

upstream raw materials:

3-fluoro-4-ethoxy bromobenzene

Trimethyl borate

4-bromo-2-fluorophenol

Downstream raw materials:

4-ethoxy-3-fluorophenol

(4S)-6-(4-ethoxy-3-fluorophenyl)-4-(1H-imidazol-4-ylmethyl)-7-[3-(trifluoromethoxy)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1(2H)-one

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