3-Fluoro-4-formylphenylboronic acid

Base Information

• Chemical Name: 3-Fluoro-4-formylphenylboronic acid
• CAS No.: 248270-25-9
• Molecular Formula: C₇H₆BFO₃
• Molecular Weight: 167.932
• Hs Code.: 29319090
• European Community (EC) Number: 626-303-3
• DSSTox Substance ID: DTXSID10381054
• Nikkaji Number: J2.479.329J
• Wikidata: Q72479837
• Mol file: 248270-25-9.mol

Synonyms:3-Fluoro-4-formylphenylboronic acid;248270-25-9;3-fluoro-4-formylbenzeneboronic acid;(3-fluoro-4-formylphenyl)boronic acid;MFCD02093051;Boronic acid, (3-fluoro-4-formylphenyl)-;Boronic acid, B-(3-fluoro-4-formylphenyl)-;SCHEMBL155586;DTXSID10381054;NZNRMUVHUVCIBR-UHFFFAOYSA-N;3-fluoro-4-formyl-phenyl boronic acid;AKOS004116286;AM80880;CS-W008027;AS-15064;BP-10095;SY025272;F1051;FT-0600752;(3-fluoranyl-4-methanoyl-phenyl)boronic acid;EN300-97750;A817512;J-512481

Chemical Property of 3-Fluoro-4-formylphenylboronic acid

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 1.77E-05mmHg at 25°C
• Melting Point: 249-250 °C
• Refractive Index: 1.524
• Boiling Point: 349.3 °C at 760 mmHg
• PKA: 6.26±0.10(Predicted)
• Flash Point: 165.1 °C
• PSA: 57.53000
• Density: 1.33 g/cm³
• LogP: -0.68200
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 168.0394024
• Heavy Atom Count: 12
• Complexity: 165

Purity/Quality:

99% ^*data from raw suppliers

3-Fluoro-4-formylphenylboronic 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)C=O)F)(O)O
• Uses: suzuki reaction Reactant for:Preparation of MIDA boronates for Suzuki-Miyaura cross-coupling reactionsPreparation of pyrazolopyrimidinamine derivatives as tyrosine and phosphinositide kinase inhibitors

Technology Process of 3-Fluoro-4-formylphenylboronic acid

There total 3 articles about 3-Fluoro-4-formylphenylboronic 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: 57.0%

C10H15BNO3(1+)*CF3O3S(1-) → 3-fluoro-4-formylphenylboronic acid (248270-25-9)

Guidance literature:

With potassium fluoride; potassium carbonate; [2.2.2]cryptande; In dimethyl sulfoxide; at 120 - 130 ℃; for 1.5h;

Reference yield: 57.0%

potassium fluoride (7789-23-3) + C10H15BNO3(1+)*CF3O3S(1-) → 3-fluoro-4-formylphenylboronic acid (248270-25-9)

Guidance literature:

potassium fluoride; With potassium carbonate; [2.2.2]cryptande; In dimethyl sulfoxide; at 120 - 130 ℃; for 1h;

C₁₀H₁₅BNO₃⁽¹⁺⁾*CF₃O₃S^(1-); In dimethyl sulfoxide; at 120 - 130 ℃; for 0.5h; Temperature; Solvent; Reagent/catalyst;

Reference yield:

C9H12BNO3 → 3-fluoro-4-formylphenylboronic acid (248270-25-9)

Guidance literature:

Multi-step reaction with 2 steps

1: dichloromethane / 3 h / 20 °C / Inert atmosphere

2: potassium carbonate; [2.2.2]cryptande; potassium fluoride / dimethyl sulfoxide / 1.5 h / 120 - 130 °C

With potassium fluoride; potassium carbonate; [2.2.2]cryptande; In dichloromethane; dimethyl sulfoxide;

upstream raw materials:

potassium fluoride

Downstream raw materials:

C₁₇H₂₇FO₇P₂

C₉H₁₁FO₇P₂

1,3,5-tris(3-fluoro-4-formylphenyl)benzene

Refernces

• 1、 -. "Synthetic methods of F-BPA and F-BPA intermediates, intermediates and application of intermediates". . . Retrieved 2019/10/19.