3-Fluoro-4-propoxyphenylboronic acid

Base Information

• Chemical Name: 3-Fluoro-4-propoxyphenylboronic acid
• CAS No.: 192376-68-4
• Molecular Formula: C9H12BFO3
• Molecular Weight: 198.00
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID80584277
• Wikidata: Q72476649
• Mol file: 192376-68-4.mol

Synonyms:192376-68-4;3-Fluoro-4-propoxyphenylboronic acid;(3-fluoro-4-propoxyphenyl)boronic acid;3-Fluoro-4-propoxybenzeneboronic acid;(3-fluoro-4-propoxy-phenyl)boronic acid;Boronic acid, B-(3-fluoro-4-propoxyphenyl)-;MFCD06411285;SCHEMBL177284;DTXSID80584277;JJBMFQWJHYCKRY-UHFFFAOYSA-N;(3-fluoro-4-propoxyphenyl)boronicacid;AKOS004114977;AB25189;PS-9616;dihydroxy(3-fluoro-4-propoxyphenyl)borane;SY101426;CS-0152058;Y13468;A813562

Chemical Property of 3-Fluoro-4-propoxyphenylboronic acid

Chemical Property:

• Appearance/Colour: white powder
• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 102-107 °C(lit.)
• Refractive Index: 1.498
• Boiling Point: 339.465 °C at 760 mmHg
• Flash Point: 159.103 °C
• PSA: 49.69000
• Density: 1.184 g/cm³
• LogP: 0.29430
• 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: 4
• Exact Mass: 198.0863526
• Heavy Atom Count: 14
• Complexity: 168

Purity/Quality:

97% ^*data from raw suppliers

3-Fluoro-4-propoxyphenylboronic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Fluoro-4-propoxyphenylboronic acid

There total 1 articles about 3-Fluoro-4-propoxyphenylboronic 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:

Triisopropyl borate (5419-55-6) + 3-fluoro-4-propoxybromobenzene → dihydroxy(3-fluoro-4-propoxyphenyl)borane (192376-68-4)

Guidance literature:

With hydrogenchloride; n-butyllithium; In tetrahydrofuran;

Reference yield:

dihydroxy(3-fluoro-4-propoxyphenyl)borane (192376-68-4) → (2S,3R,4S,5S,6R)-2-(3'-Fluoro-4'-propoxy-biphenyl-4-yloxy)-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol

Guidance literature:

Multi-step reaction with 2 steps

1: 1 M NaHCO₃ / Pd(PPh₃)4 / 1,2-dimethoxy-ethane / 4 h / Heating

2: 90 percent / 0.001 M NaOMe / methanol

With sodium methylate; sodium hydrogencarbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In methanol; 1,2-dimethoxyethane;

DOI:10.1039/C39950000645

Reference yield:

1-O-(4′-bromophenyl)-2,3,4,6-tetra-O-acetyl-β-D-glucopyranoside (14581-80-7) + dihydroxy(3-fluoro-4-propoxyphenyl)borane (192376-68-4) → Acetic acid (2S,3R,4S,5R,6R)-4,5-diacetoxy-6-acetoxymethyl-2-(3'-fluoro-4'-propoxy-biphenyl-4-yloxy)-tetrahydro-pyran-3-yl ester

Guidance literature:

With sodium hydrogencarbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In 1,2-dimethoxyethane; for 4h; Yield given; Heating;

DOI:10.1039/C39950000645

upstream raw materials:

Triisopropyl borate

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